Basic information
- CAS
1211591-28-4- Standard SMILES
c1ncc2c(C3CCNC3)c[nH]c2n1- InChIKey
FAZILDHXBBPXBS-UHFFFAOYSA-N- Molecular formula
- C10H12N4
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.1061964
Names & identifiers
- Preferred name
- 5-(3-Pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
DTXSID9012481295-(3-Pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine5-(Pyrrolidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine1211591-28-4
Database identifiers
- CAS
1211591-28-4- PubChem CID
- 82655819
- DTXSID
DTXSID901248129
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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