2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine

C12H12BrN3 — CID 66479676

IUPAC2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C12H12BrN3/c1-7-5-9(3-4-10(7)13)12-15-8(2)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyKLRQEEFQUFDEOK-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.11
Rot. Bonds1

About 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine

2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 66479676) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
PubChem CID66479676
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C12H12BrN3/c1-7-5-9(3-4-10(7)13)12-15-8(2)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyKLRQEEFQUFDEOK-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-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 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine (CID 66479676) is 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(-c2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is KLRQEEFQUFDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-7-5-9(3-4-10(7)13)12-15-8(2)6-11(14)16-12/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine?
2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 278.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66479676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).