Basic information
- CAS
1854-38-2- Standard SMILES
Cc1nc(N)c2c(n1)C(Cc1ccccc1)N(C(=O)c1ccccc1)C2- InChIKey
YMAJLLJZJOPHJL-UHFFFAOYSA-N- Molecular formula
- C21H20N4O
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.16371127
Names & identifiers
- Preferred name
- (4-Amino-7-benzyl-2-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)(phenyl)methanone
- IUPAC
- (4-amino-7-benzyl-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
Names & synonyms
1854-38-26-benzoyl-7-benzyl-2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-amine(4-Amino-7-benzyl-2-methyl-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(phenyl)methanone(4-amino-7-benzyl-2-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)(phenyl)methanoneNSC107252DTXSID00296042NSC-107252
Database identifiers
- CAS
1854-38-2- PubChem CID
- 267684
- DTXSID
DTXSID00296042
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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