Basic information
- Standard SMILES
Cc1cc(C(=O)O)nc(NC(C)C)n1- InChIKey
JLSVUOBRBCSYDR-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.10077667
Names & identifiers
- Preferred name
- 2-(Isopropylamino)-6-methylpyrimidine-4-carboxylic acid
- IUPAC
- 6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
Names & synonyms
2-(Isopropylamino)-6-methylpyrimidine-4-carboxylic acid1150644-40-86-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxylic acid2-isopropylamino-6-methyl-pyrimidine-4-carboxylic acidSCHEMBL1180045JLSVUOBRBCSYDR-UHFFFAOYSA-NSB56315DB-3385272-(Isopropylamino)-6-methylpyrimidine-4-carboxylicacid
Database identifiers
- PubChem CID
- 66933715
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
5 records
Compound notes
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