(1S,2R)-2-(2-chloro-5-methyl-pyrimidin-4-ylamino)-cyclopentanecarboxylic Acid Isopropylamide
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Basic information
- Standard SMILES
Cc1cnc(Cl)nc1N[C@@H]1CCC[C@@H]1C(=O)NC(C)C- InChIKey
KQQSFPZBFVKYOD-WDEREUQCSA-N- Molecular formula
- C14H21ClN4O
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.140389
Names & identifiers
- Preferred name
- (1S,2R)-2-(2-chloro-5-methyl-pyrimidin-4-ylamino)-cyclopentanecarboxylic Acid Isopropylamide
- IUPAC
- cis-(1S,2R)-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylcyclopentane-1-carboxamide
Names & synonyms
SCHEMBL4289850KQQSFPZBFVKYOD-WDEREUQCSA-N(1S,2R)-2-(2-chloro-5-methyl-pyrimidin-4-ylamino)-cyclopentanecarboxylic Acid Isopropylamide
Database identifiers
- PubChem CID
- 57748023
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
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Related reactions
1 records
Compound notes
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