2-Chloro-6,7-dihydro-N-4-piperidinyl-5H-cyclopentapyrimidin-4-amine
Basic information
- CAS
1000335-28-3- Standard SMILES
Clc1nc2c(c(NC3CCNCC3)n1)CCC2- InChIKey
XVGHVWUPFQXPBC-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4
- Average molar mass
- 252.74 g/mol
- Monoisotopic mass
- 252.1141743
Names & identifiers
- Preferred name
- 2-Chloro-6,7-dihydro-N-4-piperidinyl-5H-cyclopentapyrimidin-4-amine
- IUPAC
- 2-chloro-N-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
Names & synonyms
SCHEMBL12526910DTXSID1011613392-Chloro-6,7-dihydro-N-4-piperidinyl-5H-cyclopentapyrimidin-4-amine1000335-28-32-Chloro-N-(piperidin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
Database identifiers
- CAS
1000335-28-3- PubChem CID
- 59210367
- DTXSID
DTXSID101161339
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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