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

C23H38N2 — CID 19839806

IUPAC5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
SMILESCCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C23H38N2/c1-3-5-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)23-24-16-18(4-2)17-25-23/h16-17,19-22H,3-15H2,1-2H3
InChIKeyAWZZNVQJQGGWMN-UHFFFAOYSA-N
MW342.57 g/mol
LogP6.70
Rot. Bonds7

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

5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine (PubChem CID 19839806) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
PubChem CID19839806
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
SMILESCCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1
InChIInChI=1S/C23H38N2/c1-3-5-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)23-24-16-18(4-2)17-25-23/h16-17,19-22H,3-15H2,1-2H3
InChIKeyAWZZNVQJQGGWMN-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine (CID 19839806) is 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine is CCCC1CCC(CCC2CCC(c3ncc(CC)cn3)CC2)CC1.
What is the InChIKey of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine?
The InChIKey is AWZZNVQJQGGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-3-5-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)23-24-16-18(4-2)17-25-23/h16-17,19-22H,3-15H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine?
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine has a molecular weight of 342.57 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine is sourced from PubChem (CID 19839806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).