Basic information
- CAS
13166-62-6- Standard SMILES
CCCc1c(N)nc(N)nc1C(=O)O- InChIKey
DHBVWSJKKXMBCD-UHFFFAOYSA-N- Molecular formula
- C8H12N4O2
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.09602564
Names & identifiers
- Preferred name
- 2,6-Diamino-5-propylpyrimidine-4-carboxylic acid
- IUPAC
- 2,6-diamino-5-propylpyrimidine-4-carboxylic acid
Names & synonyms
2,6-diamino-5-propylpyrimidine-4-carboxylic acid13166-62-6NSC1549264-Pyrimidinecarboxylicacid, 2,6-diamino-5-propyl-SCHEMBL10772456DTXSID40302893NSC-154926DS-005522
Database identifiers
- CAS
13166-62-6- PubChem CID
- 290733
- DTXSID
DTXSID40302893
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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