4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one

C12H12N2O — CID 135472983

IUPAC4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZXVYJKXMMWMUFL-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.05
Rot. Bonds1

About 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one

4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135472983) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135472983
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZXVYJKXMMWMUFL-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one (CID 135472983) is 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1.
What is the InChIKey of 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is ZXVYJKXMMWMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-4-3-5-10(6-8)12-13-9(2)7-11(15)14-12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one?
4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 200.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135472983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).