4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine

C24H22N2 — CID 156510300

IUPAC4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(C3=CC=CCC3C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H22N2/c1-17-8-6-7-11-22(17)19-12-14-20(15-13-19)23-16-18(2)25-24(26-23)21-9-4-3-5-10-21/h3-7,9-17H,8H2,1-2H3
InChIKeyRWUOSAIYYRMHEM-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.10
Rot. Bonds3

About 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine

4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine (PubChem CID 156510300) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
PubChem CID156510300
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(C3=CC=CCC3C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H22N2/c1-17-8-6-7-11-22(17)19-12-14-20(15-13-19)23-16-18(2)25-24(26-23)21-9-4-3-5-10-21/h3-7,9-17H,8H2,1-2H3
InChIKeyRWUOSAIYYRMHEM-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
CID 145237182
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
CID 138967547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine (CID 156510300) is 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine is Cc1cc(-c2ccc(C3=CC=CCC3C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is RWUOSAIYYRMHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-17-8-6-7-11-22(17)19-12-14-20(15-13-19)23-16-18(2)25-24(26-23)21-9-4-3-5-10-21/h3-7,9-17H,8H2,1-2H3.
What are the key properties of 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine?
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 338.45 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 156510300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).