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Basic information
- Standard SMILES
COc1ccc(CNc2ncnc3c2ccn3C2CC(CNC(C)C)C3OC(C)(C)OC32)c(OC)c1- InChIKey
JCMOPPYRSAGFDW-UHFFFAOYSA-N- Molecular formula
- C27H37N5O4
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.28455468
Names & identifiers
- Preferred name
- N-[(2,4-dimethoxyphenyl)methyl]-7-[2,2-dimethyl-6-[(propan-2-ylamino)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]-7-[2,2-dimethyl-6-[(propan-2-ylamino)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 77353045
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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