4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one

C16H13N3O — CID 136993255

IUPAC4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C16H13N3O/c1-11-10-15(20)19-16(18-11)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-10H,1H3,(H,18,19,20)
InChIKeyCGAZVKGYWFMWKQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.81
Rot. Bonds2

About 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one

4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one (PubChem CID 136993255) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
PubChem CID136993255
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/C16H13N3O/c1-11-10-15(20)19-16(18-11)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-10H,1H3,(H,18,19,20)
InChIKeyCGAZVKGYWFMWKQ-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

2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
2-(3-bromo-4-methylphenyl)-4-methyl-1H-pyrimidin-6-one
CID 136701853
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
CID 135433531
2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 137255591
4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291580
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
CID 163313079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one (CID 136993255) is 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one?
The InChIKey is CGAZVKGYWFMWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-10-15(20)19-16(18-11)14-4-2-12(3-5-14)13-6-8-17-9-7-13/h2-10H,1H3,(H,18,19,20).
What are the key properties of 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one?
4-methyl-2-(4-pyridin-4-ylphenyl)-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 4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136993255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).