Basic information
- Standard SMILES
Cc1c[nH]c2ncnc(N3CCN[C@@H](C(C)C)C3)c12- InChIKey
ZLEYDMXAVXGLPP-LLVKDONJSA-N- Molecular formula
- C14H21N5
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.17969569
Names & identifiers
- Preferred name
- (S)-4-(3-isopropylpiperazin-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 5-methyl-4-[(3S)-3-propan-2-ylpiperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL4216924ZLEYDMXAVXGLPP-LLVKDONJSA-N(S)-4-(3-isopropylpiperazin-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 68959969
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
1 records
Compound notes
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