5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one

C16H13N3O — CID 136764386

IUPAC5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C16H13N3O/c1-11-14(12-5-3-2-4-6-12)18-15(19-16(11)20)13-7-9-17-10-8-13/h2-10H,1H3,(H,18,19,20)
InChIKeyMCALVNDSGRSNBM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.81
Rot. Bonds2

About 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one

5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136764386) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136764386
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C16H13N3O/c1-11-14(12-5-3-2-4-6-12)18-15(19-16(11)20)13-7-9-17-10-8-13/h2-10H,1H3,(H,18,19,20)
InChIKeyMCALVNDSGRSNBM-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136739044

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136764386) is 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MCALVNDSGRSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-14(12-5-3-2-4-6-12)18-15(19-16(11)20)13-7-9-17-10-8-13/h2-10H,1H3,(H,18,19,20).
What are the key properties of 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 263.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).