5-(5-bromo-2-methylcyclohexyl)pyrimidine

C11H15BrN2 — CID 165497477

IUPAC5-(5-bromo-2-methylcyclohexyl)pyrimidine
SMILESCC1CCC(Br)CC1c1cncnc1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-11(8)9-5-13-7-14-6-9/h5-8,10-11H,2-4H2,1H3
InChIKeyUUJZBTOKICENBX-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.14
Rot. Bonds1

About 5-(5-bromo-2-methylcyclohexyl)pyrimidine

5-(5-bromo-2-methylcyclohexyl)pyrimidine (PubChem CID 165497477) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-(5-bromo-2-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-(5-bromo-2-methylcyclohexyl)pyrimidine
PubChem CID165497477
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-(5-bromo-2-methylcyclohexyl)pyrimidine
SMILESCC1CCC(Br)CC1c1cncnc1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-11(8)9-5-13-7-14-6-9/h5-8,10-11H,2-4H2,1H3
InChIKeyUUJZBTOKICENBX-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-bromo-2-methylcyclohexyl)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-(5-bromo-2-methylcyclohexyl)pyrimidine?
The IUPAC name of 5-(5-bromo-2-methylcyclohexyl)pyrimidine (CID 165497477) is 5-(5-bromo-2-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-(5-bromo-2-methylcyclohexyl)pyrimidine?
The canonical SMILES for 5-(5-bromo-2-methylcyclohexyl)pyrimidine is CC1CCC(Br)CC1c1cncnc1.
What is the InChIKey of 5-(5-bromo-2-methylcyclohexyl)pyrimidine?
The InChIKey is UUJZBTOKICENBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-2-3-10(12)4-11(8)9-5-13-7-14-6-9/h5-8,10-11H,2-4H2,1H3.
What are the key properties of 5-(5-bromo-2-methylcyclohexyl)pyrimidine?
5-(5-bromo-2-methylcyclohexyl)pyrimidine has a molecular weight of 255.16 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 165497477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).