4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one

C18H16N2O — CID 136692457

IUPAC4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H16N2O/c1-12-8-9-15(10-13(12)2)16-11-17(21)20-18(19-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyRMIROMMCMKDWNH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.72
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one

4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136692457) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136692457
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H16N2O/c1-12-8-9-15(10-13(12)2)16-11-17(21)20-18(19-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyRMIROMMCMKDWNH-UHFFFAOYSA-N
XLogP3.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(3,4-dimethylphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025492
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136955770
2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136914532
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
7-methyl-2-phenyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one
CID 614384
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one (CID 136692457) is 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(-c3ccccc3)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is RMIROMMCMKDWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-8-9-15(10-13(12)2)16-11-17(21)20-18(19-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one?
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).