N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C13H12FN3O3 — CID 135602046

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C13H12FN3O3/c1-7-16-10(11(18)13(20)17-7)12(19)15-6-8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyQUOVSBFFBCDNHK-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.85
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135602046) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135602046
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C13H12FN3O3/c1-7-16-10(11(18)13(20)17-7)12(19)15-6-8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyQUOVSBFFBCDNHK-UHFFFAOYSA-N
XLogP0.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Me-pyrimidone deriv., 24
CID 54677473
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methanesulfonyl-1-methylpiperazin-2-yl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677514
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537
2-(1,4-dimethylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677551
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-methylpiperazine-1-carboxylate
CID 54677553
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677593
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677595
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4S)-4-methanesulfonamido-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677619
2-[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677623

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 135602046) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QUOVSBFFBCDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-7-16-10(11(18)13(20)17-7)12(19)15-6-8-2-4-9(14)5-3-8/h2-5,18H,6H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135602046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).