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

C9H9BrN2 — CID 141185520

IUPAC6-bromo-3-methyl-2H-quinazoline
SMILESCN1C=c2cc(Br)ccc2=NC1
InChIInChI=1S/C9H9BrN2/c1-12-5-7-4-8(10)2-3-9(7)11-6-12/h2-5H,6H2,1H3
InChIKeyGBRYXSJJVILOJG-UHFFFAOYSA-N
MW225.09 g/mol
LogP0.71
Rot. Bonds

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 Name6-bromo-3-methyl-2H-quinazoline
PubChem CID141185520
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name6-bromo-3-methyl-2H-quinazoline
SMILESCN1C=c2cc(Br)ccc2=NC1
InChIInChI=1S/C9H9BrN2/c1-12-5-7-4-8(10)2-3-9(7)11-6-12/h2-5H,6H2,1H3
InChIKeyGBRYXSJJVILOJG-UHFFFAOYSA-N
XLogP0.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).