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

C9H9N3O — CID 135703158

IUPAC5-amino-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc[nH]c(=O)c2c1N
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-7(8(5)10)9(13)12-4-11-6/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyIKFQIMCGUPGZGW-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

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

5-amino-6-methyl-3H-quinazolin-4-one (PubChem CID 135703158) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-amino-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-amino-6-methyl-3H-quinazolin-4-one
PubChem CID135703158
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-amino-6-methyl-3H-quinazolin-4-one
SMILESCc1ccc2nc[nH]c(=O)c2c1N
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-7(8(5)10)9(13)12-4-11-6/h2-4H,10H2,1H3,(H,11,12,13)
InChIKeyIKFQIMCGUPGZGW-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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Related Compounds

5-chloro-6-methyl-3H-quinazolin-4-one
CID 137274264
6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
CID 162429521
4-chloro-5,6-dimethylquinazoline;5,6-dimethyl-3H-quinazolin-4-one;6-iodo-5-methyl-3H-quinazolin-4-one
CID 159103363
2H-pyrido[3,2-f]quinazolin-1-one
CID 135776062
5-bromo-6-chloro-3H-quinazolin-4-one
CID 155434942
8-chloro-5-methyl-3H-quinazolin-4-one
CID 136862978
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
6-hydroxy-5-nitro-3H-quinazolin-4-one
CID 166169079
5-tert-butyl-3H-quinazolin-4-one
CID 136998530
5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137262042
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135741818

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-3H-quinazolin-4-one?
The IUPAC name of 5-amino-6-methyl-3H-quinazolin-4-one (CID 135703158) is 5-amino-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-amino-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 5-amino-6-methyl-3H-quinazolin-4-one is Cc1ccc2nc[nH]c(=O)c2c1N.
What is the InChIKey of 5-amino-6-methyl-3H-quinazolin-4-one?
The InChIKey is IKFQIMCGUPGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-2-3-6-7(8(5)10)9(13)12-4-11-6/h2-4H,10H2,1H3,(H,11,12,13).
What are the key properties of 5-amino-6-methyl-3H-quinazolin-4-one?
5-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 5-amino-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135703158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).