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

C12H10FN3O3 — CID 135598715

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc[nH]c(=O)c1O
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-14-11(18)9-10(17)12(19)16-6-15-9/h1-4,6,17H,5H2,(H,14,18)(H,15,16,19)
InChIKeyLFEJBNSZPNQXNF-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.54
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135598715) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135598715
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc[nH]c(=O)c1O
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-14-11(18)9-10(17)12(19)16-6-15-9/h1-4,6,17H,5H2,(H,14,18)(H,15,16,19)
InChIKeyLFEJBNSZPNQXNF-UHFFFAOYSA-N
XLogP0.54
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135446244
2-[(dimethylamino)(phenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135446276
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(1-methyl-2-piperidyl)pyrimidine-4-carboxamide
CID 135446290
2-benzyl-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135601655
2-(dimethylaminomethyl)-N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 135601684
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-methylpyrimidine-4-carboxamide
CID 135602046
N-benzyl-5,6-dihydroxy-2-phenylpyrimidine-4-carboxamide
CID 135602092
2-[1-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide
CID 135771894
N-Me-pyrimidone deriv., 24
CID 54677473
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 135598715) is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1nc[nH]c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LFEJBNSZPNQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-14-11(18)9-10(17)12(19)16-6-15-9/h1-4,6,17H,5H2,(H,14,18)(H,15,16,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 263.23 g/mol, XLogP of 0.54, 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-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135598715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).