1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide

C12H10FN3O2 — CID 143536437

IUPAC1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cncn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H10FN3O2/c1-14-11(17)10-6-15-7-16(12(10)18)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,17)
InChIKeyBULDEPSKKCGGAC-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.73
Rot. Bonds2

About 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide

1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 143536437) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID143536437
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cncn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H10FN3O2/c1-14-11(17)10-6-15-7-16(12(10)18)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,17)
InChIKeyBULDEPSKKCGGAC-UHFFFAOYSA-N
XLogP0.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-oxo-1-phenylpyrimidine-5-carboxamide
CID 143596490
1-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid
CID 137153602
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N,1,6-trimethyl-2-oxopyridine-3-carboxamide
CID 131179511
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide (CID 143536437) is 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide is CNC(=O)c1cncn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is BULDEPSKKCGGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-14-11(17)10-6-15-7-16(12(10)18)9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,17).
What are the key properties of 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide?
1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 143536437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).