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

C9H9N3O — CID 135474899

IUPAC2-amino-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1
InChIInChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyDJYDUJAKTAWKTN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

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

2-amino-6-methyl-3H-quinazolin-4-one (PubChem CID 135474899) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-3H-quinazolin-4-one
PubChem CID135474899
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1
InChIInChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyDJYDUJAKTAWKTN-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

Analyze 2-amino-6-methyl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycorine
CID 18992
2-Hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
CID 376484
5-Fluoroquinazolin-4-ol
CID 135495930
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
2,6-Diaminoquinazolin-4-ol
CID 135413405

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-methyl-3H-quinazolin-4-one (CID 135474899) is 2-amino-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc(N)[nH]c(=O)c2c1.
What is the InChIKey of 2-amino-6-methyl-3H-quinazolin-4-one?
The InChIKey is DJYDUJAKTAWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-6-methyl-3H-quinazolin-4-one?
2-amino-6-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 2-amino-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135474899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).