5-(1-chlorocyclohexyl)pyrimidine

C10H13ClN2 — CID 174403358

IUPAC5-(1-chlorocyclohexyl)pyrimidine
SMILESClC1(c2cncnc2)CCCCC1
InChIInChI=1S/C10H13ClN2/c11-10(4-2-1-3-5-10)9-6-12-8-13-7-9/h6-8H,1-5H2
InChIKeyHPWZUKDEVCSYJL-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.87
Rot. Bonds1

About 5-(1-chlorocyclohexyl)pyrimidine

5-(1-chlorocyclohexyl)pyrimidine (PubChem CID 174403358) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-(1-chlorocyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-(1-chlorocyclohexyl)pyrimidine
PubChem CID174403358
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-(1-chlorocyclohexyl)pyrimidine
SMILESClC1(c2cncnc2)CCCCC1
InChIInChI=1S/C10H13ClN2/c11-10(4-2-1-3-5-10)9-6-12-8-13-7-9/h6-8H,1-5H2
InChIKeyHPWZUKDEVCSYJL-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(1-chlorocyclohexyl)pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-chlorocyclohexyl)pyrimidine?
The IUPAC name of 5-(1-chlorocyclohexyl)pyrimidine (CID 174403358) is 5-(1-chlorocyclohexyl)pyrimidine.
What is the SMILES notation for 5-(1-chlorocyclohexyl)pyrimidine?
The canonical SMILES for 5-(1-chlorocyclohexyl)pyrimidine is ClC1(c2cncnc2)CCCCC1.
What is the InChIKey of 5-(1-chlorocyclohexyl)pyrimidine?
The InChIKey is HPWZUKDEVCSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-10(4-2-1-3-5-10)9-6-12-8-13-7-9/h6-8H,1-5H2.
What are the key properties of 5-(1-chlorocyclohexyl)pyrimidine?
5-(1-chlorocyclohexyl)pyrimidine has a molecular weight of 196.68 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorocyclohexyl)pyrimidine is sourced from PubChem (CID 174403358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).