5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine

C20H26N2 — CID 54464887

IUPAC5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCc1cnc(-c2ccc(C(C)C3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C20H26N2/c1-14-4-6-17(7-5-14)16(3)18-8-10-19(11-9-18)20-21-12-15(2)13-22-20/h8-14,16-17H,4-7H2,1-3H3
InChIKeyQJFUMGRUAMHYRU-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.38
Rot. Bonds3

About 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine

5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine (PubChem CID 54464887) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine
PubChem CID54464887
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCc1cnc(-c2ccc(C(C)C3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C20H26N2/c1-14-4-6-17(7-5-14)16(3)18-8-10-19(11-9-18)20-21-12-15(2)13-22-20/h8-14,16-17H,4-7H2,1-3H3
InChIKeyQJFUMGRUAMHYRU-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine?
The IUPAC name of 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine (CID 54464887) is 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine is Cc1cnc(-c2ccc(C(C)C3CCC(C)CC3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine?
The InChIKey is QJFUMGRUAMHYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-14-4-6-17(7-5-14)16(3)18-8-10-19(11-9-18)20-21-12-15(2)13-22-20/h8-14,16-17H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine?
5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine has a molecular weight of 294.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[1-(4-methylcyclohexyl)ethyl]phenyl]pyrimidine is sourced from PubChem (CID 54464887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).