N-isopropyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amine
Basic information
- Standard SMILES
CC(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c12- InChIKey
SSVDSZIWJBBCNN-UHFFFAOYSA-N- Molecular formula
- C27H30N4O2
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.23687621
Names & identifiers
- Preferred name
- N-isopropyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amine
- IUPAC
- 5-phenyl-N-propan-2-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
Names & synonyms
CHEMBL247866N-isopropyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amineSCHEMBL2971893SSVDSZIWJBBCNN-UHFFFAOYSA-NBDBM50204579
Database identifiers
- PubChem CID
- 11626406
- ChEMBL
CHEMBL247866
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 585
Related reactions
1 records
Compound notes
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