2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine

C18H18N2 — CID 138509773

IUPAC2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
SMILESCc1nc(C2=CCC(C)C=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H18N2/c1-13-8-10-16(11-9-13)18-12-17(19-14(2)20-18)15-6-4-3-5-7-15/h3-8,10-13H,9H2,1-2H3
InChIKeyMUJUUMZAZXVZCD-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.43
Rot. Bonds2

About 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine

2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine (PubChem CID 138509773) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
PubChem CID138509773
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
SMILESCc1nc(C2=CCC(C)C=C2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H18N2/c1-13-8-10-16(11-9-13)18-12-17(19-14(2)20-18)15-6-4-3-5-7-15/h3-8,10-13H,9H2,1-2H3
InChIKeyMUJUUMZAZXVZCD-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-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-methyl-4-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-phenylpyrimidine
CID 138636136
4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-2-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 163523886
4-(4-chlorocyclohexa-1,5-dien-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146352346
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
3-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-[2-[2-[3-[6-(2-phenylphenyl)pyridazin-3-yl]phenyl]phenyl]phenyl]phenyl]pyridazine
CID 170241522
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 130380039
N'-[1-[3-[3-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-2-pyridinyl]phenyl]-5-phenylphenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144906509
1-(4-methylcyclohexa-1,5-dien-1-yl)-3-nitrosobenzene
CID 166979676
[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
CID 143064317
4-(4-methylcyclohexa-1,5-dien-1-yl)pyrimidine
CID 123206229
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(9-methyldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 142519305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine?
The IUPAC name of 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine (CID 138509773) is 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine is Cc1nc(C2=CCC(C)C=C2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine?
The InChIKey is MUJUUMZAZXVZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-10-16(11-9-13)18-12-17(19-14(2)20-18)15-6-4-3-5-7-15/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine?
2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine has a molecular weight of 262.36 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 138509773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).