N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

C18H15N3O3 — CID 135602092

IUPACN-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O3/c22-15-14(17(23)19-11-12-7-3-1-4-8-12)20-16(21-18(15)24)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,23)(H,20,21,24)
InChIKeyITGIJXNVDRVUAD-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.07
Rot. Bonds4

About N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 135602092) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID135602092
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O3/c22-15-14(17(23)19-11-12-7-3-1-4-8-12)20-16(21-18(15)24)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,23)(H,20,21,24)
InChIKeyITGIJXNVDRVUAD-UHFFFAOYSA-N
XLogP2.07
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-methylpyrimidine-4-carboxamide
CID 135602046
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
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
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
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54678776
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682231
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(1-piperidyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682232
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 54682237
9-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682238
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-pyrrolidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (CID 135602092) is N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is ITGIJXNVDRVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-15-14(17(23)19-11-12-7-3-1-4-8-12)20-16(21-18(15)24)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,23)(H,20,21,24).
What are the key properties of N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135602092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).