3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one

C17H15N3O — CID 142816165

IUPAC3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccc(-c2c(-c3ccncc3)ncn(C)c2=O)cc1
InChIInChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)15-16(14-7-9-18-10-8-14)19-11-20(2)17(15)21/h3-11H,1-2H3
InChIKeyBAEILAIVSFWDEQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.82
Rot. Bonds2

About 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one

3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 142816165) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID142816165
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1ccc(-c2c(-c3ccncc3)ncn(C)c2=O)cc1
InChIInChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)15-16(14-7-9-18-10-8-14)19-11-20(2)17(15)21/h3-11H,1-2H3
InChIKeyBAEILAIVSFWDEQ-UHFFFAOYSA-N
XLogP2.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
CID 90415937
4-methyl-2,3-dipyridin-4-ylpyridine
CID 46316601
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
CID 11197527
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767920
1,9-dimethyl-2-(4-methylphenyl)purin-6-one
CID 102235387
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
3-[2-[(2-amino-3-phenylpropyl)amino]ethyl]-5-(4-fluorophenyl)-6-pyridin-4-ylpyrimidin-4-one
CID 70346783

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one (CID 142816165) is 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one is Cc1ccc(-c2c(-c3ccncc3)ncn(C)c2=O)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is BAEILAIVSFWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-3-5-13(6-4-12)15-16(14-7-9-18-10-8-14)19-11-20(2)17(15)21/h3-11H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 277.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 142816165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).