6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C14H16BrN3 — CID 115503725

IUPAC6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyBCCZGPXRBKQNCW-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.07
Rot. Bonds3

About 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115503725) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID115503725
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18)
InChIKeyBCCZGPXRBKQNCW-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-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 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 115503725) is 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2ccccc2Br)nc(C(C)C)n1.
What is the InChIKey of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BCCZGPXRBKQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)14-17-12(8-13(16-3)18-14)10-6-4-5-7-11(10)15/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).