2-Amino-6-hydroxy-5-(3-methylanilino)pyrimidin-4(3H)-one
Basic information
- CAS
91952-14-6- Standard SMILES
Cc1cccc(Nc2c(O)nc(N)[nH]c2=O)c1- InChIKey
BPAUJKLHNHSQRM-UHFFFAOYSA-N- Molecular formula
- C11H12N4O2
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.09602564
Names & identifiers
- Preferred name
- 2-Amino-6-hydroxy-5-(3-methylanilino)pyrimidin-4(3H)-one
- IUPAC
- 2-amino-4-hydroxy-5-(3-methylanilino)-1H-pyrimidin-6-one
- English name
- 2-amino-6-hydroxy-5-[(3-methylphenyl)amino]-3H-pyrimidin-4-one
- Molecular formula
- C11H12N4O2
- Molecular weight
- 0
Names & synonyms
91952-14-6NSC57058DTXSID402886432-Amino-6-hydroxy-5-(3-methylanilino)pyrimidin-4(3H)-oneNSC-570582-amino-6-hydroxy-5-[(3-methylphenyl)amino]-3H-pyrimidin-4-one
Database identifiers
- CAS
91952-14-6- PubChem CID
- 245283
- DTXSID
DTXSID40288643
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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