4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one

C17H14N2O — CID 136740726

IUPAC4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-12-7-9-13(10-8-12)15-11-16(20)19-17(18-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)
InChIKeyYUWHKHAVAJRAFP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds2

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

4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136740726) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136740726
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-12-7-9-13(10-8-12)15-11-16(20)19-17(18-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)
InChIKeyYUWHKHAVAJRAFP-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
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-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
(5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 135517621
5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339688
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one (CID 136740726) is 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is YUWHKHAVAJRAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-7-9-13(10-8-12)15-11-16(20)19-17(18-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20).
What are the key properties of 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one?
4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 262.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136740726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).