6-(2-Aminopyrimidin-5-yl)-n-(3-methoxyphenyl)-1,3-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
COc1cccc(Nc2nc(-c3cnc(N)nc3)nc3c2c(C)nn3C)c1- InChIKey
CTMPFHDBBSMCNA-UHFFFAOYSA-N- Molecular formula
- C18H18N8O
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.16035723
Names & identifiers
- Preferred name
- 6-(2-Aminopyrimidin-5-yl)-n-(3-methoxyphenyl)-1,3-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-(2-aminopyrimidin-5-yl)-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL2192815CTMPFHDBBSMCNA-UHFFFAOYSA-N6-(2-aminopyrimidin-5-yl)-n-(3-methoxyphenyl)-1,3-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 44181589
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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