Basic information
- Standard SMILES
c1nc(OC2CCCCC2)c2cc[nH]c2n1- InChIKey
NSUSWVBAKBSLBP-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
Names & identifiers
- Preferred name
- 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
CHEMBL4648694SCHEMBL3532381CHEMBL4651160NSUSWVBAKBSLBP-UHFFFAOYSA-NBDBM505456364-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 22484549
- ChEMBL
CHEMBL4648694、CHEMBL4651160
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
4 records
Compound notes
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