4-(4-Ethoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
Basic information
- CAS
5730-46-1- Standard SMILES
CCOc1nc(N2CCOCC2)nc2nc(N3CCOCC3)ncc12- InChIKey
MDKRLYMUWKHIQL-UHFFFAOYSA-N- Molecular formula
- C16H22N6O3
- Average molar mass
- 346.38 g/mol
- Monoisotopic mass
- 346.17533859
Names & identifiers
- Preferred name
- 4-(4-Ethoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
- IUPAC
- 4-(4-ethoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine
Names & synonyms
5730-46-1NSC5241094-(4-ethoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholineDTXSID90326120NSC-524109DS-0014244-Ethoxy-2,7-bis(morpholin-4-yl)pyrimido[4,5-d]pyrimidinePYRIMIDO[4,5-D]PYRIMIDINE,4-ETHOXY-2,7-DI-4-MORPHOLINYL-
Database identifiers
- CAS
5730-46-1- PubChem CID
- 351964
- DTXSID
DTXSID90326120
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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