4-[4'-(3-Dimethylamino-2-hydroxypropoxy)anilino]6-(3'-methylanilino) pyrimidine

HCID 67015152
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Basic information

Standard SMILES
Cc1cccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)c1
InChIKey
JDPJVCHIIOVJHQ-UHFFFAOYSA-N
Molecular formula
C22H27N5O2
Average molar mass
393.5 g/mol

Names & identifiers

Preferred name
4-[4'-(3-Dimethylamino-2-hydroxypropoxy)anilino]6-(3'-methylanilino) pyrimidine
IUPAC
1-(dimethylamino)-3-[4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenoxy]propan-2-ol

Names & synonyms

SCHEMBL1387518JDPJVCHIIOVJHQ-UHFFFAOYSA-N4-[4'-(3-dimethylamino-2-hydroxypropoxy)anilino]6-(3'-methylanilino) pyrimidine

Database identifiers

PubChem CID
67015152

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
82.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
29

Related reactions

2 records
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Compound notes

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