4-(4-butylcyclohexyl)-6-chloropyrimidine

C14H21ClN2 — CID 121205634

IUPAC4-(4-butylcyclohexyl)-6-chloropyrimidine
SMILESCCCCC1CCC(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(15)17-10-16-13/h9-12H,2-8H2,1H3
InChIKeyCSIROPPXKUFGHU-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.59
Rot. Bonds4

About 4-(4-butylcyclohexyl)-6-chloropyrimidine

4-(4-butylcyclohexyl)-6-chloropyrimidine (PubChem CID 121205634) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-6-chloropyrimidine.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-6-chloropyrimidine
PubChem CID121205634
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(4-butylcyclohexyl)-6-chloropyrimidine
SMILESCCCCC1CCC(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(15)17-10-16-13/h9-12H,2-8H2,1H3
InChIKeyCSIROPPXKUFGHU-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-butylcyclohexyl)-6-chloropyrimidine 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

2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327033
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
CID 139631047
3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
CID 14744678
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
CID 19859506
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-(4-butylcyclohexyl)pyridine;ethane
CID 143311003
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
5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine
CID 79555600
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-6-chloropyrimidine?
The IUPAC name of 4-(4-butylcyclohexyl)-6-chloropyrimidine (CID 121205634) is 4-(4-butylcyclohexyl)-6-chloropyrimidine.
What is the SMILES notation for 4-(4-butylcyclohexyl)-6-chloropyrimidine?
The canonical SMILES for 4-(4-butylcyclohexyl)-6-chloropyrimidine is CCCCC1CCC(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-6-chloropyrimidine?
The InChIKey is CSIROPPXKUFGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(15)17-10-16-13/h9-12H,2-8H2,1H3.
What are the key properties of 4-(4-butylcyclohexyl)-6-chloropyrimidine?
4-(4-butylcyclohexyl)-6-chloropyrimidine has a molecular weight of 252.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-6-chloropyrimidine is sourced from PubChem (CID 121205634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).