7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine

C15H15BrN4 — CID 144501050

IUPAC7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine
SMILESCNc1nc(C2=CC=CN(C)C2)nc2cc(Br)ccc12
InChIInChI=1S/C15H15BrN4/c1-17-15-12-6-5-11(16)8-13(12)18-14(19-15)10-4-3-7-20(2)9-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyRFPSJKKXYHCTGV-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.28
Rot. Bonds2

About 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine

7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine (PubChem CID 144501050) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine
PubChem CID144501050
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine
SMILESCNc1nc(C2=CC=CN(C)C2)nc2cc(Br)ccc12
InChIInChI=1S/C15H15BrN4/c1-17-15-12-6-5-11(16)8-13(12)18-14(19-15)10-4-3-7-20(2)9-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyRFPSJKKXYHCTGV-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-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 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine?
The IUPAC name of 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine (CID 144501050) is 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine.
What is the SMILES notation for 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine?
The canonical SMILES for 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine is CNc1nc(C2=CC=CN(C)C2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine?
The InChIKey is RFPSJKKXYHCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-17-15-12-6-5-11(16)8-13(12)18-14(19-15)10-4-3-7-20(2)9-10/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine?
7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine has a molecular weight of 331.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-2-(1-methyl-2H-pyridin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 144501050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).