6-bromo-3-methyl-2H-quinazoline

C₉H₉BrN₂ — CID 141185520

About 6-bromo-3-methyl-2H-quinazoline

6-bromo-3-methyl-2H-quinazoline (PubChem CID 141185520) has the molecular formula C₉H₉BrN₂ and a molecular weight of 225.09 g/mol. Its IUPAC name is 6-bromo-3-methyl-2H-quinazoline.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-2H-quinazoline
• PubChem CID: 141185520
• Molecular Formula: C₉H₉BrN₂
• Molecular Weight: 225.09 g/mol
• Exact Mass: 223.99
• IUPAC Name: 6-bromo-3-methyl-2H-quinazoline
• SMILES: CN1C=c2cc(Br)ccc2=NC1
• InChI: InChI=1S/C9H9BrN2/c1-12-5-7-4-8(10)2-3-9(7)11-6-12/h2-5H,6H2,1H3
• InChIKey: GBRYXSJJVILOJG-UHFFFAOYSA-N
• XLogP: 0.71
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.09
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2H-quinazoline?

The IUPAC name of 6-bromo-3-methyl-2H-quinazoline (CID 141185520) is 6-bromo-3-methyl-2H-quinazoline.

What is the SMILES notation for 6-bromo-3-methyl-2H-quinazoline?

The canonical SMILES for 6-bromo-3-methyl-2H-quinazoline is CN1C=c2cc(Br)ccc2=NC1.

What is the InChIKey of 6-bromo-3-methyl-2H-quinazoline?

The InChIKey is GBRYXSJJVILOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-12-5-7-4-8(10)2-3-9(7)11-6-12/h2-5H,6H2,1H3.

What are the key properties of 6-bromo-3-methyl-2H-quinazoline?

6-bromo-3-methyl-2H-quinazoline has a molecular weight of 225.09 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-2H-quinazoline is sourced from PubChem (CID 141185520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141185520 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.