5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine

C25H42N2 — CID 19839728

IUPAC5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCCCC1CCC(C2CCC(CCc3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C25H42N2/c1-3-5-6-7-21-8-13-23(14-9-21)24-15-10-22(11-16-24)12-17-25-26-18-20(4-2)19-27-25/h18-19,21-24H,3-17H2,1-2H3
InChIKeyBCIGOCDHZJQFPG-UHFFFAOYSA-N
MW370.63 g/mol
LogP7.16
Rot. Bonds9

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

5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine (PubChem CID 19839728) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
PubChem CID19839728
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
SMILESCCCCCC1CCC(C2CCC(CCc3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C25H42N2/c1-3-5-6-7-21-8-13-23(14-9-21)24-15-10-22(11-16-24)12-17-25-26-18-20(4-2)19-27-25/h18-19,21-24H,3-17H2,1-2H3
InChIKeyBCIGOCDHZJQFPG-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

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-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
CID 23190634
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
2-[2-cyclohexyl-2-(4-heptylcyclohexyl)ethyl]-5-ethylpyrimidine
CID 57121743
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The IUPAC name of 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine (CID 19839728) is 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine is CCCCCC1CCC(C2CCC(CCc3ncc(CC)cn3)CC2)CC1.
What is the InChIKey of 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
The InChIKey is BCIGOCDHZJQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-3-5-6-7-21-8-13-23(14-9-21)24-15-10-22(11-16-24)12-17-25-26-18-20(4-2)19-27-25/h18-19,21-24H,3-17H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine?
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine 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 5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine is sourced from PubChem (CID 19839728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).