6-amino-1-methylquinazolin-4-one

C9H9N3O — CID 130118535

IUPAC6-amino-1-methylquinazolin-4-one
SMILESCn1cnc(=O)c2cc(N)ccc21
InChIInChI=1S/C9H9N3O/c1-12-5-11-9(13)7-4-6(10)2-3-8(7)12/h2-5H,10H2,1H3
InChIKeyBYYNZBCCGIBOES-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.52
Rot. Bonds

About 6-amino-1-methylquinazolin-4-one

6-amino-1-methylquinazolin-4-one (PubChem CID 130118535) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-amino-1-methylquinazolin-4-one.

Molecular Properties

Compound Name6-amino-1-methylquinazolin-4-one
PubChem CID130118535
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-amino-1-methylquinazolin-4-one
SMILESCn1cnc(=O)c2cc(N)ccc21
InChIInChI=1S/C9H9N3O/c1-12-5-11-9(13)7-4-6(10)2-3-8(7)12/h2-5H,10H2,1H3
InChIKeyBYYNZBCCGIBOES-UHFFFAOYSA-N
XLogP0.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
9-hydroxycarbazole-3,6-diamine
CID 130354547
3-ethyl-1-methylindazol-5-amine
CID 68609782
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024984
2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
CID 115114160
1-(4-amino-2-fluorophenyl)quinazolin-4-one
CID 82513979
7-amino-1-methylquinolin-4-one
CID 10329797
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
CID 55080035
7-amino-2,4-dimethylisoquinolin-1-one
CID 115063555
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
6-amino-3-propan-2-ylquinazolin-4-one
CID 16641534

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methylquinazolin-4-one?
The IUPAC name of 6-amino-1-methylquinazolin-4-one (CID 130118535) is 6-amino-1-methylquinazolin-4-one.
What is the SMILES notation for 6-amino-1-methylquinazolin-4-one?
The canonical SMILES for 6-amino-1-methylquinazolin-4-one is Cn1cnc(=O)c2cc(N)ccc21.
What is the InChIKey of 6-amino-1-methylquinazolin-4-one?
The InChIKey is BYYNZBCCGIBOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-5-11-9(13)7-4-6(10)2-3-8(7)12/h2-5H,10H2,1H3.
What are the key properties of 6-amino-1-methylquinazolin-4-one?
6-amino-1-methylquinazolin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methylquinazolin-4-one is sourced from PubChem (CID 130118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).