5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine

C24H40N2 — CID 19839891

IUPAC5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCc1cnc(CCC2CCC(C3CCC(CCC)CC3)CC2)nc1
InChIInChI=1S/C24H40N2/c1-3-5-19-7-12-22(13-8-19)23-14-9-20(10-15-23)11-16-24-25-17-21(6-4-2)18-26-24/h17-20,22-23H,3-16H2,1-2H3
InChIKeyDKZLVILMQACRFB-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.77
Rot. Bonds8

About 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine

5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine (PubChem CID 19839891) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine.

Molecular Properties

Compound Name5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
PubChem CID19839891
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCc1cnc(CCC2CCC(C3CCC(CCC)CC3)CC2)nc1
InChIInChI=1S/C24H40N2/c1-3-5-19-7-12-22(13-8-19)23-14-9-20(10-15-23)11-16-24-25-17-21(6-4-2)18-26-24/h17-20,22-23H,3-16H2,1-2H3
InChIKeyDKZLVILMQACRFB-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
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
2-(4-methylcyclohexyl)-5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 54387705
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
CID 19008051
5-(4-nonoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839963
5-(4-heptoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839624
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The IUPAC name of 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine (CID 19839891) is 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine.
What is the SMILES notation for 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The canonical SMILES for 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine is CCCc1cnc(CCC2CCC(C3CCC(CCC)CC3)CC2)nc1.
What is the InChIKey of 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The InChIKey is DKZLVILMQACRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-3-5-19-7-12-22(13-8-19)23-14-9-20(10-15-23)11-16-24-25-17-21(6-4-2)18-26-24/h17-20,22-23H,3-16H2,1-2H3.
What are the key properties of 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine has a molecular weight of 356.60 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine is sourced from PubChem (CID 19839891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).