5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine

C15H13BrN4 — CID 79235763

IUPAC5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)nc3ccccc23)ncc1Br
InChIInChI=1S/C15H13BrN4/c1-9-7-11(10-5-3-4-6-13(10)19-9)14-18-8-12(16)15(17-2)20-14/h3-8H,1-2H3,(H,17,18,20)
InChIKeyFOFRWXRIPBJAKM-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.80
Rot. Bonds2

About 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine

5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine (PubChem CID 79235763) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
PubChem CID79235763
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)nc3ccccc23)ncc1Br
InChIInChI=1S/C15H13BrN4/c1-9-7-11(10-5-3-4-6-13(10)19-9)14-18-8-12(16)15(17-2)20-14/h3-8H,1-2H3,(H,17,18,20)
InChIKeyFOFRWXRIPBJAKM-UHFFFAOYSA-N
XLogP3.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-2-(2-methylquinolin-4-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-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine (CID 79235763) is 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine is CNc1nc(-c2cc(C)nc3ccccc23)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
The InChIKey is FOFRWXRIPBJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-9-7-11(10-5-3-4-6-13(10)19-9)14-18-8-12(16)15(17-2)20-14/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine has a molecular weight of 329.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 79235763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).