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Basic information
- Standard SMILES
O=C(Nc1cc(Nc2ccc(OCCCN3CCOCC3)cc2)ncn1)Nc1ccccc1Cl- InChIKey
CJMHZVNFSMQKTP-UHFFFAOYSA-N- Molecular formula
- C24H27ClN6O3
- Average molar mass
- 483 g/mol
- Monoisotopic mass
- 482.1833164
Names & identifiers
- Preferred name
- 1-(2-Chloro-phenyl)-3-{6-[4-(3-morpholin-4-yl-propoxy)-phenylamino]-pyrimidin-4-yl}-urea
- IUPAC
- 1-(2-chlorophenyl)-3-[6-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]urea
Names & synonyms
SCHEMBL374463CJMHZVNFSMQKTP-UHFFFAOYSA-N1-(2-Chloro-phenyl)-3-{6-[4-(3-morpholin-4-yl-propoxy)-phenylamino]-pyrimidin-4-yl}-urea
Database identifiers
- PubChem CID
- 57710233
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 603
Related reactions
1 records
Compound notes
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