Basic information
- Standard SMILES
O=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1- InChIKey
MCTAHBZOFDKPBM-UHFFFAOYSA-N- Molecular formula
- C18H18N4O3
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- (3-((3-(3,6-Dihydro-2H-pyran-4-YL)pyridin-2-YL)oxy)azetidin-1-YL)(pyrimidin-4-YL)methanone
- IUPAC
- [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]-pyrimidin-4-ylmethanone
Names & synonyms
SCHEMBL2630954CHEMBL3664370BDBM99064MCTAHBZOFDKPBM-UHFFFAOYSA-NUS8497265, 770(3-((3-(3,6-DIHYDRO-2H-PYRAN-4-YL)PYRIDIN-2-YL)OXY)AZETIDIN-1-YL)(PYRIMIDIN-4-YL)METHANONE
Database identifiers
- PubChem CID
- 58547745
- ChEMBL
CHEMBL3664370
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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