5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide

C15H16F2N4O2 — CID 58138332

IUPAC5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C15H16F2N4O2/c1-2-7-18-14(22)21-9-12(17)13(20-15(21)23)19-8-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyUSDOLUUZBKCHAO-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.10
Rot. Bonds5

About 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide

5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide (PubChem CID 58138332) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.31 g/mol. Its IUPAC name is 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide
PubChem CID58138332
Molecular FormulaC15H16F2N4O2
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC Name5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C15H16F2N4O2/c1-2-7-18-14(22)21-9-12(17)13(20-15(21)23)19-8-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyUSDOLUUZBKCHAO-UHFFFAOYSA-N
XLogP2.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[1-[(4-Methylphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677472
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231
5-Methyl-4-(octylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 147330615
1-Benzyl-4-(decylamino)-5-methylpyrimidin-2-one
CID 148339851
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630
1-Benzyl-4-[3-(dimethylamino)propylamino]-5-methylpyrimidin-2-one
CID 155536855
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
CID 155560175
4-(4-Fluorophenyl)-6-propylimino-1,3,5-triazinan-2-one
CID 137129944

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide (CID 58138332) is 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide is CCCNC(=O)n1cc(F)c(NCc2ccccc2F)nc1=O.
What is the InChIKey of 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide?
The InChIKey is USDOLUUZBKCHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-2-7-18-14(22)21-9-12(17)13(20-15(21)23)19-8-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide?
5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(2-fluorophenyl)methylamino]-2-oxo-N-propylpyrimidine-1-carboxamide is sourced from PubChem (CID 58138332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).