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

C25H42N2 — CID 19839788

IUPAC2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1
InChIInChI=1S/C25H42N2/c1-3-5-6-7-22-18-26-25(27-19-22)17-12-21-10-15-24(16-11-21)23-13-8-20(4-2)9-14-23/h18-21,23-24H,3-17H2,1-2H3
InChIKeyQIKNNAZULZRFND-UHFFFAOYSA-N
MW370.63 g/mol
LogP7.16
Rot. Bonds9

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

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine (PubChem CID 19839788) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine.

Molecular Properties

Compound Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
PubChem CID19839788
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1
InChIInChI=1S/C25H42N2/c1-3-5-6-7-22-18-26-25(27-19-22)17-12-21-10-15-24(16-11-21)23-13-8-20(4-2)9-14-23/h18-21,23-24H,3-17H2,1-2H3
InChIKeyQIKNNAZULZRFND-UHFFFAOYSA-N
XLogP7.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-heptylpyrimidine
CID 19839745
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839728
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
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
[2-(hydroxymethyl)-3-[4-[2-(5-pentylpyrimidin-2-yl)ethyl]cyclohexyl]propyl] 2-methylprop-2-enoate
CID 134244646
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine?
The IUPAC name of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine (CID 19839788) is 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine.
What is the SMILES notation for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine?
The canonical SMILES for 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine is CCCCCc1cnc(CCC2CCC(C3CCC(CC)CC3)CC2)nc1.
What is the InChIKey of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine?
The InChIKey is QIKNNAZULZRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-3-5-6-7-22-18-26-25(27-19-22)17-12-21-10-15-24(16-11-21)23-13-8-20(4-2)9-14-23/h18-21,23-24H,3-17H2,1-2H3.
What are the key properties of 2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine?
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine has a molecular weight of 370.63 g/mol, XLogP of 7.16, 9 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-pentylpyrimidine is sourced from PubChem (CID 19839788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).