5-bromo-2-chloro-4-pentylpyrimidine

C9H12BrClN2 — CID 174599025

IUPAC5-bromo-2-chloro-4-pentylpyrimidine
SMILESCCCCCc1nc(Cl)ncc1Br
InChIInChI=1S/C9H12BrClN2/c1-2-3-4-5-8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3
InChIKeyBFVOHWPYLPMZEZ-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.63
Rot. Bonds4

About 5-bromo-2-chloro-4-pentylpyrimidine

5-bromo-2-chloro-4-pentylpyrimidine (PubChem CID 174599025) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-pentylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-pentylpyrimidine
PubChem CID174599025
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name5-bromo-2-chloro-4-pentylpyrimidine
SMILESCCCCCc1nc(Cl)ncc1Br
InChIInChI=1S/C9H12BrClN2/c1-2-3-4-5-8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3
InChIKeyBFVOHWPYLPMZEZ-UHFFFAOYSA-N
XLogP3.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-4-pentylpyrimidine 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-bromo-2-chloro-4-pentylpyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-pentylpyrimidine (CID 174599025) is 5-bromo-2-chloro-4-pentylpyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-pentylpyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-pentylpyrimidine is CCCCCc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-pentylpyrimidine?
The InChIKey is BFVOHWPYLPMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2/c1-2-3-4-5-8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-pentylpyrimidine?
5-bromo-2-chloro-4-pentylpyrimidine has a molecular weight of 263.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-pentylpyrimidine is sourced from PubChem (CID 174599025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).