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Basic information
- Standard SMILES
COC(=O)Nc1c(N)nc(-c2n[nH]c3ncccc23)nc1N- InChIKey
ILVOXPXVGNXNAM-UHFFFAOYSA-N- Molecular formula
- C12H12N8O2
- Average molar mass
- 300.28 g/mol
- Monoisotopic mass
- 300.10832166
Names & identifiers
- Preferred name
- Methyl[4,6-diamino-2-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl]carbamate
- IUPAC
- methyl N-[4,6-diamino-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl]carbamate
Names & synonyms
SCHEMBL7904594ILVOXPXVGNXNAM-UHFFFAOYSA-NMethyl[4,6-diamino-2-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl]carbamate
Database identifiers
- PubChem CID
- 70224788
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
2 records
Compound notes
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