2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine

C23H32N2 — CID 19839952

IUPAC2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(CCC3CCC(CC)CC3)nc2)cc1
InChIInChI=1S/C23H32N2/c1-3-5-19-10-13-21(14-11-19)22-16-24-23(25-17-22)15-12-20-8-6-18(4-2)7-9-20/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3
InChIKeyFXDCHGRLCRCYKE-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.25
Rot. Bonds7

About 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine

2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine (PubChem CID 19839952) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
PubChem CID19839952
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cnc(CCC3CCC(CC)CC3)nc2)cc1
InChIInChI=1S/C23H32N2/c1-3-5-19-10-13-21(14-11-19)22-16-24-23(25-17-22)15-12-20-8-6-18(4-2)7-9-20/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3
InChIKeyFXDCHGRLCRCYKE-UHFFFAOYSA-N
XLogP6.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
5-(4-heptoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839624
5-(4-nonoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839963
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentylpyrimidine
CID 19839788
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-heptylpyrimidine
CID 19839745
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
CID 19008051
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
CID 57057112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine?
The IUPAC name of 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine (CID 19839952) is 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine.
What is the SMILES notation for 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine?
The canonical SMILES for 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine is CCCc1ccc(-c2cnc(CCC3CCC(CC)CC3)nc2)cc1.
What is the InChIKey of 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine?
The InChIKey is FXDCHGRLCRCYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-3-5-19-10-13-21(14-11-19)22-16-24-23(25-17-22)15-12-20-8-6-18(4-2)7-9-20/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3.
What are the key properties of 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine?
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine has a molecular weight of 336.52 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine is sourced from PubChem (CID 19839952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).