4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

C17H15N3O — CID 137210861

IUPAC4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(-c3ccccc3C)cc(=O)[nH]2)n1
InChIInChI=1S/C17H15N3O/c1-11-6-3-4-8-13(11)15-10-16(21)20-17(19-15)14-9-5-7-12(2)18-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyLWXNASTXGXTKLO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds2

About 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 137210861) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID137210861
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(-c3ccccc3C)cc(=O)[nH]2)n1
InChIInChI=1S/C17H15N3O/c1-11-6-3-4-8-13(11)15-10-16(21)20-17(19-15)14-9-5-7-12(2)18-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyLWXNASTXGXTKLO-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 139685391
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429519
4-hydroxy-5-iodo-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 66285779
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957267
2-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957270
4-(2-bromophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025467
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136795513

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (CID 137210861) is 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is Cc1cccc(-c2nc(-c3ccccc3C)cc(=O)[nH]2)n1.
What is the InChIKey of 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is LWXNASTXGXTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-6-3-4-8-13(11)15-10-16(21)20-17(19-15)14-9-5-7-12(2)18-14/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137210861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).