1-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea

HCID 57710314
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Basic information

Standard SMILES
CCN1CCN(c2ccc(Nc3cc(NC(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1
InChIKey
SNTNERODRPWWRE-UHFFFAOYSA-N
Molecular formula
C25H29Cl2N7O3
Average molar mass
546.4 g/mol
Monoisotopic mass
545.1708932

Names & identifiers

Preferred name
1-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea
IUPAC
1-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea

Names & synonyms

SCHEMBL374703SNTNERODRPWWRE-UHFFFAOYSA-N1-(2,6-Dichloro-3,5-dimethoxy-phenyl)-3-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea

Database identifiers

PubChem CID
57710314

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
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Compound notes

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