5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine

C26H44N2 — CID 19839937

IUPAC5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCCc1cnc(CCC2CCC(C3CCC(CCCC)CC3)CC2)nc1
InChIInChI=1S/C26H44N2/c1-3-5-7-21-9-14-24(15-10-21)25-16-11-22(12-17-25)13-18-26-27-19-23(20-28-26)8-6-4-2/h19-22,24-25H,3-18H2,1-2H3
InChIKeyFKUKCQDUHZVKGP-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.55
Rot. Bonds10

About 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine

5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine (PubChem CID 19839937) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine.

Molecular Properties

Compound Name5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
PubChem CID19839937
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCCc1cnc(CCC2CCC(C3CCC(CCCC)CC3)CC2)nc1
InChIInChI=1S/C26H44N2/c1-3-5-7-21-9-14-24(15-10-21)25-16-11-22(12-17-25)13-18-26-27-19-23(20-28-26)8-6-4-2/h19-22,24-25H,3-18H2,1-2H3
InChIKeyFKUKCQDUHZVKGP-UHFFFAOYSA-N
XLogP7.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
CID 19839788
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-heptylpyrimidine
CID 19839745
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839728
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 54387705
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
CID 23190634
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
2-[(1R,4S)-2,2-difluoro-4-(4-pentylcyclohexyl)cyclohexyl]-5-octylpyrimidine
CID 139604045
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The IUPAC name of 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine (CID 19839937) is 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine.
What is the SMILES notation for 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The canonical SMILES for 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine is CCCCc1cnc(CCC2CCC(C3CCC(CCCC)CC3)CC2)nc1.
What is the InChIKey of 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The InChIKey is FKUKCQDUHZVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2/c1-3-5-7-21-9-14-24(15-10-21)25-16-11-22(12-17-25)13-18-26-27-19-23(20-28-26)8-6-4-2/h19-22,24-25H,3-18H2,1-2H3.
What are the key properties of 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine has a molecular weight of 384.65 g/mol, XLogP of 7.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine is sourced from PubChem (CID 19839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).