5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine

C10H15BrClN3 — CID 106167952

IUPAC5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CCCl)Nc1ncncc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-10(2,4-5-12)15-9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOFVBBAQGTXPLCQ-UHFFFAOYSA-N
MW292.61 g/mol
LogP3.45
Rot. Bonds5

About 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine

5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine (PubChem CID 106167952) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine
PubChem CID106167952
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine
SMILESCCC(C)(CCCl)Nc1ncncc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-10(2,4-5-12)15-9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOFVBBAQGTXPLCQ-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine 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-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine (CID 106167952) is 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine is CCC(C)(CCCl)Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine?
The InChIKey is OFVBBAQGTXPLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-3-10(2,4-5-12)15-9-8(11)6-13-7-14-9/h6-7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine?
5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine has a molecular weight of 292.61 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106167952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).