Basic information
- Standard SMILES
COc1c(C)cnc(Cn2cc(CN(Cc3ccccc3)Cc3ccccc3)c3c(Cl)nc(N)nc32)c1C- InChIKey
QWFFGACVYBYLBL-UHFFFAOYSA-N- Molecular formula
- C30H31ClN6O
- Average molar mass
- 527.1 g/mol
- Monoisotopic mass
- 526.2247873
Names & identifiers
- Preferred name
- 4-Chloro-5-[(dibenzylamino)-methyl]-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
- IUPAC
- 4-chloro-5-[(dibenzylamino)methyl]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL3396278QWFFGACVYBYLBL-UHFFFAOYSA-N4-Chloro-5-[(dibenzylamino)-methyl]-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine
Database identifiers
- PubChem CID
- 21883103
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Compound notes
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