Basic information
- CAS
1854-44-0- Standard SMILES
CC1c2ncnc(N)c2CN1C(=O)c1ccccc1- InChIKey
ZMQGXSQUCSEWHK-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Names & identifiers
- Preferred name
- (4-Amino-7-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)(phenyl)methanone
- IUPAC
- (4-amino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
Names & synonyms
1854-44-0(4-Amino-7-methyl-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(phenyl)methanone6-benzoyl-7-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-amine(4-amino-7-methyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)(phenyl)methanoneNSC107247DTXSID70296039NSC-107247
Database identifiers
- CAS
1854-44-0- PubChem CID
- 267679
- DTXSID
DTXSID70296039
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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