2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine

C40H64N4 — CID 54387705

IUPAC2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCC1CCC(CCc2cnc(C3CCC(C)CC3)nc2)CC1.Cc1cnc(CCC2CCC(C3CCC(C)CC3)CC2)nc1
InChIInChI=1S/2C20H32N2/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-21-13-16(2)14-22-20;1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h13-15,17-19H,3-12H2,1-2H3;13-17,19H,3-12H2,1-2H3
InChIKeyVEKLKKXDZZPJRM-UHFFFAOYSA-N
MW600.98 g/mol
LogP10.88
Rot. Bonds8

About 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine

2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine (PubChem CID 54387705) has the molecular formula C40H64N4 and a molecular weight of 600.98 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine
PubChem CID54387705
Molecular FormulaC40H64N4
Molecular Weight600.98 g/mol
Exact Mass600.51
IUPAC Name2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCC1CCC(CCc2cnc(C3CCC(C)CC3)nc2)CC1.Cc1cnc(CCC2CCC(C3CCC(C)CC3)CC2)nc1
InChIInChI=1S/2C20H32N2/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-21-13-16(2)14-22-20;1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h13-15,17-19H,3-12H2,1-2H3;13-17,19H,3-12H2,1-2H3
InChIKeyVEKLKKXDZZPJRM-UHFFFAOYSA-N
XLogP10.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.98
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The IUPAC name of 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine (CID 54387705) is 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine is CC1CCC(CCc2cnc(C3CCC(C)CC3)nc2)CC1.Cc1cnc(CCC2CCC(C3CCC(C)CC3)CC2)nc1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The InChIKey is VEKLKKXDZZPJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32N2/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-21-13-16(2)14-22-20;1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h13-15,17-19H,3-12H2,1-2H3;13-17,19H,3-12H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine has a molecular weight of 600.98 g/mol, XLogP of 10.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine is sourced from PubChem (CID 54387705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).