6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
Basic information
- CAS
54476-34-5- Standard SMILES
Nc1nc(N)c2c(n1)CN(Cc1ccccc1)C2- InChIKey
WEPYXNZERLMONG-UHFFFAOYSA-N- Molecular formula
- C13H15N5
- Average molar mass
- 241.29 g/mol
- Monoisotopic mass
- 241.1327455
Names & identifiers
- Preferred name
- 6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
- IUPAC
- 6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-2,4-diamine
Names & synonyms
6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine54476-34-5NSC1072536-benzyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,4-diamineDTXSID60296043WEPYXNZERLMONG-UHFFFAOYSA-NNSC-1072536-Benzyl-2,4-diamino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine #
Database identifiers
- CAS
54476-34-5- PubChem CID
- 267685
- DTXSID
DTXSID60296043
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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