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

C9H9N3O — CID 135467177

IUPAC6-amino-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyTVNZEXKYMVFLFH-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

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

6-amino-2-methyl-3H-quinazolin-4-one (PubChem CID 135467177) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-amino-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-methyl-3H-quinazolin-4-one
PubChem CID135467177
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-amino-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C9H9N3O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyTVNZEXKYMVFLFH-UHFFFAOYSA-N
XLogP0.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-methyl-3H-quinazolin-4-one (CID 135467177) is 6-amino-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-methyl-3H-quinazolin-4-one is Cc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-methyl-3H-quinazolin-4-one?
The InChIKey is TVNZEXKYMVFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,10H2,1H3,(H,11,12,13).
What are the key properties of 6-amino-2-methyl-3H-quinazolin-4-one?
6-amino-2-methyl-3H-quinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135467177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).