5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine

C24H26N2 — CID 59982558

IUPAC5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
SMILESCc1ccc(-c2ccc(-c3ncc(C4CCC(C)CC4)cn3)cc2)cc1
InChIInChI=1S/C24H26N2/c1-17-3-7-19(8-4-17)20-11-13-22(14-12-20)24-25-15-23(16-26-24)21-9-5-18(2)6-10-21/h3-4,7-8,11-16,18,21H,5-6,9-10H2,1-2H3
InChIKeyLUZVOOBUHJHNDS-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.41
Rot. Bonds3

About 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine

5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine (PubChem CID 59982558) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
PubChem CID59982558
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
SMILESCc1ccc(-c2ccc(-c3ncc(C4CCC(C)CC4)cn3)cc2)cc1
InChIInChI=1S/C24H26N2/c1-17-3-7-19(8-4-17)20-11-13-22(14-12-20)24-25-15-23(16-26-24)21-9-5-18(2)6-10-21/h3-4,7-8,11-16,18,21H,5-6,9-10H2,1-2H3
InChIKeyLUZVOOBUHJHNDS-UHFFFAOYSA-N
XLogP6.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
CID 54233658
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(4-methylphenyl)pyrimidine
CID 21359920
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
3-fluoro-2-(4-methylcyclohexyl)-5-(4-methylphenyl)pyridine
CID 54515120
5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine
CID 54464887
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2-(4-fluorophenyl)-5-methylpyrimidine
CID 162147977
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine?
The IUPAC name of 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine (CID 59982558) is 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine?
The canonical SMILES for 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine is Cc1ccc(-c2ccc(-c3ncc(C4CCC(C)CC4)cn3)cc2)cc1.
What is the InChIKey of 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine?
The InChIKey is LUZVOOBUHJHNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-17-3-7-19(8-4-17)20-11-13-22(14-12-20)24-25-15-23(16-26-24)21-9-5-18(2)6-10-21/h3-4,7-8,11-16,18,21H,5-6,9-10H2,1-2H3.
What are the key properties of 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine?
5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine has a molecular weight of 342.49 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 59982558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).