Basic information
- CAS
1380343-11-2- Standard SMILES
CCCNc1nc(Cl)c2ccn(C(C)C)c2n1- InChIKey
YYKQVYQJKNFFHN-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1141743
Names & identifiers
- Preferred name
- 4-Chloro-7-isopropyl-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
- IUPAC
- 4-chloro-7-propan-2-yl-N-propylpyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
4-Chloro-7-isopropyl-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine1380343-11-2SCHEMBL9108364YYKQVYQJKNFFHN-UHFFFAOYSA-NDTXSID1011538412-(n-propyl)amino-4-chloro-7-i-propyl-pyrrolo[2,3-d]pyrimidine4-chloro-7-propan-2-yl-N-propylpyrrolo[2,3-d]pyrimidin-2-amine4-Chloro-7-(1-methylethyl)-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine4-Chloro-7-(propan-2-yl)-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Database identifiers
- CAS
1380343-11-2- PubChem CID
- 73554656
- DTXSID
DTXSID101153841
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
4 records
Compound notes
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