2-amino-5-bromo-6-methyl-3H-quinazolin-4-one

C9H8BrN3O — CID 135449067

IUPAC2-amino-5-bromo-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Br
InChIInChI=1S/C9H8BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H3,(H3,11,12,13,14)
InChIKeyNLYAFCDSBNSHPU-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.58
Rot. Bonds

About 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one

2-amino-5-bromo-6-methyl-3H-quinazolin-4-one (PubChem CID 135449067) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-6-methyl-3H-quinazolin-4-one
PubChem CID135449067
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name2-amino-5-bromo-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Br
InChIInChI=1S/C9H8BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H3,(H3,11,12,13,14)
InChIKeyNLYAFCDSBNSHPU-UHFFFAOYSA-N
XLogP1.58
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one (CID 135449067) is 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(N)[nH]c(=O)c2c1Br.
What is the InChIKey of 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one?
The InChIKey is NLYAFCDSBNSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-4-2-3-5-6(7(4)10)8(14)13-9(11)12-5/h2-3H,1H3,(H3,11,12,13,14).
What are the key properties of 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one?
2-amino-5-bromo-6-methyl-3H-quinazolin-4-one has a molecular weight of 254.09 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135449067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).