2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine

C18H21ClN2 — CID 174329947

IUPAC2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine
SMILESClc1ccc(C2CCC(CCc3ncccn3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)15-5-2-14(3-6-15)4-11-18-20-12-1-13-21-18/h1,7-10,12-15H,2-6,11H2
InChIKeyKEMBZWFZCSDADI-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.04
Rot. Bonds4

About 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine

2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine (PubChem CID 174329947) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine
PubChem CID174329947
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine
SMILESClc1ccc(C2CCC(CCc3ncccn3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)15-5-2-14(3-6-15)4-11-18-20-12-1-13-21-18/h1,7-10,12-15H,2-6,11H2
InChIKeyKEMBZWFZCSDADI-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
2-(4-chlorophenyl)-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-oxadiazole
CID 3095305
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine (CID 174329947) is 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine is Clc1ccc(C2CCC(CCc3ncccn3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine?
The InChIKey is KEMBZWFZCSDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)15-5-2-14(3-6-15)4-11-18-20-12-1-13-21-18/h1,7-10,12-15H,2-6,11H2.
What are the key properties of 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine?
2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine has a molecular weight of 300.83 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine is sourced from PubChem (CID 174329947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).