Basic information
- CAS
2161-22-0- Standard SMILES
Cn1c(N)nc2ccccc2c1=O- InChIKey
HDGGIVSPFARNQE-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 2-Amino-3-methylquinazolin-4-one
- IUPAC
- 2-amino-3-methylquinazolin-4-one
Names & synonyms
2-amino-3-methylquinazolin-4-one2161-22-02-amino-3-methylquinazolin-4(3H)-oneOprea1_599355MLS001049256SCHEMBL8986856CHEMBL14602873-methyl-2-aminoquinazol-4-oneHDGGIVSPFARNQE-UHFFFAOYSA-NDTXSID101327862HMS2802O162-Amino-3-methyl-3H-quinazolin-4-one
Show more names
SMR0004276012-Amino-3-methyl-4(3H)-quinazolinone #4(3H)-Quinazolinone, 2-amino-3-methyl-
Database identifiers
- CAS
2161-22-0- PubChem CID
- 600280
- DTXSID
DTXSID101327862- ChEMBL
CHEMBL1460287
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Solubility21.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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