2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine

C23H38N2 — CID 19839620

IUPAC2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
SMILESCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1
InChIInChI=1S/C23H38N2/c1-3-5-20-16-24-23(25-17-20)15-10-19-8-13-22(14-9-19)21-11-6-18(4-2)7-12-21/h16-19,21-22H,3-15H2,1-2H3
InChIKeyYIYLJLJMTKGWGW-UHFFFAOYSA-N
MW342.57 g/mol
LogP6.38
Rot. Bonds7

About 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine (PubChem CID 19839620) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
PubChem CID19839620
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
SMILESCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1
InChIInChI=1S/C23H38N2/c1-3-5-20-16-24-23(25-17-20)15-10-19-8-13-22(14-9-19)21-11-6-18(4-2)7-12-21/h16-19,21-22H,3-15H2,1-2H3
InChIKeyYIYLJLJMTKGWGW-UHFFFAOYSA-N
XLogP6.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
CID 19839788
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-heptylpyrimidine
CID 19839745
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
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
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
2-[2-(4-methylcyclohexyl)ethyl]pyrimidine-5-carbonitrile
CID 129014495
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
CID 23190634

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine?
The IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine (CID 19839620) is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine?
The canonical SMILES for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine is CCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1.
What is the InChIKey of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine?
The InChIKey is YIYLJLJMTKGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-3-5-20-16-24-23(25-17-20)15-10-19-8-13-22(14-9-19)21-11-6-18(4-2)7-12-21/h16-19,21-22H,3-15H2,1-2H3.
What are the key properties of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine?
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine has a molecular weight of 342.57 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine is sourced from PubChem (CID 19839620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).