(2,4-Diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenyl-methanone
Basic information
- CAS
1854-50-8- Standard SMILES
CC1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1- InChIKey
ICUGPYSFBUOHOU-UHFFFAOYSA-N- Molecular formula
- C14H15N5O
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.12766012
Names & identifiers
- Preferred name
- (2,4-Diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenyl-methanone
- IUPAC
- (2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
Names & synonyms
NSC1072421854-50-8NSC-107242(2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenyl-methanone7-Methyl-6-(phenylcarbonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
1854-50-8- PubChem CID
- 267674
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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