1-(2,4-Diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
Basic information
- CAS
1854-52-0- Standard SMILES
CC(=O)N1Cc2nc(N)nc(N)c2C1- InChIKey
FWJBYNGCDWTVOA-UHFFFAOYSA-N- Molecular formula
- C8H11N5O
- Average molar mass
- 193.21 g/mol
- Monoisotopic mass
- 193.09635999
Names & identifiers
- Preferred name
- 1-(2,4-Diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
- IUPAC
- 1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
- English name
- 1-(2,4-Diamino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
- Molecular formula
- C8H11N5O
- Molecular weight
- 0
Names & synonyms
1854-52-01-(2,4-DIAMINO-5H-PYRROLO[3,4-D]PYRIMIDIN-6(7H)-YL)ETHANONE1-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone1-{2,4-diamino-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}ethan-1-oneFWJBYNGCDWTVOA-UHFFFAOYSA-N1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanoneNSC107245SCHEMBL12811481DTXSID50296037AKOS006304318AB56324NSC-107245
Show more names
6-Acetyl-2,4-diamino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine6-Acetyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine #1-(2,4-Diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one
Database identifiers
- CAS
1854-52-0- PubChem CID
- 267677
- DTXSID
DTXSID50296037
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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