Basic information
- Standard SMILES
Clc1ncnc2[nH]c(C3=CCNCC3)cc12- InChIKey
NOSVFHACEMXFAV-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0672241
Names & identifiers
- Preferred name
- 4-Chloro-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL13994236NOSVFHACEMXFAV-UHFFFAOYSA-NDB-1955944-Chloro-6-(1,2,3,6-tetrahydro-4-pyridinyl)-7h-pyrrolo[2,3-d]pyrimidine4-Chloro-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine876460-94-5
Database identifiers
- PubChem CID
- 58710022
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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