Consensus flow list

2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

fo-3bce89704da1a1e7

Identity

Type
Neutral molecule
CAS
518048-03-8
EC
465-070-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AQLZTHZLYFFVIJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)
IUPAC name chemrof:IUPAC_name 2-(1-Amino-1-methylethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid 4-fluorobenzylamide
Molecular formula chemrof:molecular_formula C16H19FN4O3
Molecular mass chemrof:molecular_mass 334.351
Monoisotopic mass chemrof:monoisotopic_mass 334.144119
SMILES string chemrof:smiles_string Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=518048-03-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.812 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.224.840 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50716265 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5U1A5S652K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54721880 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72439502 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
52cc5c8e-655a-4856-8142-a0bb534cf34b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5ad24d13-8f2d-4fc2-b072-e64d8c1b4e40 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3fca8369-5f54-4c8b-80e9-9dce4188cf87 Environmental → Air → Indoor EF 3.1 kg 2
b61e08c9-4f6f-4213-8fe5-12f74ad7c3f7 Environmental → Air → Long-term EF 3.1 kg 0
06efa0b8-a6ef-4190-9057-429ac67f13e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
28f61637-9b25-4538-be07-f92b4b93ecab Environmental → Air → Unknown EF 3.1 kg 2
860fbaa5-07d8-4f85-9134-372eea5066d8 Environmental → Ground → Agricultural EF 3.1 kg 2
02aec64d-991a-4891-98cc-42a59bd8768e Environmental → Ground → Non-agricultural EF 3.1 kg 2
a18f1fd9-a691-4fec-b296-3bb9aea83c61 Environmental → Ground → Unknown EF 3.1 kg 2
e5307de5-8208-4713-b533-182adc95831c Environmental → Water → Long-term EF 3.1 kg 0
bdd0a9a8-d564-48c1-8dac-c9322d507613 Environmental → Water → Ocean EF 3.1 kg 2
94598a24-fc3d-4062-953c-ac2cd28efbb8 Environmental → Water → Surface water EF 3.1 kg 2
d6f7b90a-f149-4745-b69d-11a5ffbe9d30 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3bce89704da1a1e7",
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      "@value": "2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide",
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  "altLabel": [
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      }
    },
    {
      "@value": "2-(1-Amino-1-methylethyl)-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide",
      "@language": "en",
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    },
    {
      "@value": "2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide",
      "@language": "en",
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    },
    {
      "@value": "2-(2-Aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide",
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