2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine

C24H40N2 — CID 19839626

IUPAC2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
SMILESCCCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C24H40N2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)24-25-17-19(4-2)18-26-24/h17-18,20-23H,3-16H2,1-2H3
InChIKeySDTDJLMEPBXPTQ-UHFFFAOYSA-N
MW356.60 g/mol
LogP7.09
Rot. Bonds8

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

2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine (PubChem CID 19839626) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
PubChem CID19839626
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
SMILESCCCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C24H40N2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)24-25-17-19(4-2)18-26-24/h17-18,20-23H,3-16H2,1-2H3
InChIKeySDTDJLMEPBXPTQ-UHFFFAOYSA-N
XLogP7.09
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 ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine
CID 65401591
5-(methoxymethyl)-2-(4-propylcyclohexyl)pyrimidine
CID 19839813
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839728
5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile
CID 54226324
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
2-(4-butylcyclohexyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]pyrimidine
CID 118485229
2-(azetidin-3-yl)-5-ethylpyrimidine
CID 84651719
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine (CID 19839626) is 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine is CCCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine?
The InChIKey is SDTDJLMEPBXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)24-25-17-19(4-2)18-26-24/h17-18,20-23H,3-16H2,1-2H3.
What are the key properties of 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine?
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine has a molecular weight of 356.60 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine is sourced from PubChem (CID 19839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).