Basic information
- Standard SMILES
COC(=O)CCCCCNc1ncnc2oc(-c3ccccc3)cc12- InChIKey
ACKUCGHGNMQFJO-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
- IUPAC
- methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
Names & synonyms
SCHEMBL2178050ACKUCGHGNMQFJO-UHFFFAOYSA-NMethyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate6-[(6-Phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 25123737
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
4 records
Compound notes
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