1-(2,6-Dichloro-phenyl)-3-[6-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-urea

HCID 57710274
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Basic information

Standard SMILES
O=C(Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1)Nc1c(Cl)cccc1Cl
InChIKey
BUTAEXCLYMKONO-UHFFFAOYSA-N
Molecular formula
C21H20Cl2N6O2
Average molar mass
459.3 g/mol

Names & identifiers

Preferred name
1-(2,6-Dichloro-phenyl)-3-[6-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-urea
IUPAC
1-(2,6-dichlorophenyl)-3-[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]urea

Names & synonyms

SCHEMBL374266BUTAEXCLYMKONO-UHFFFAOYSA-N1-(2,6-Dichloro-phenyl)-3-[6-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-urea

Database identifiers

PubChem CID
57710274

Properties

Computed structural properties

XLogP
4
Topological polar surface area
91.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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