823786-21-6
4-(4-(4-(HYDROXYMETHYL)-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
Name4-(4-(4-(HYDROXYMETHYL)-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
1Identification
【Name】
4-(4-(4-(HYDROXYMETHYL)-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
【CAS】
【MDL】
MFCD17014841
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H19 N5 O
【pro_molWeight】
345.404
【Inchi】
InChI=1S/C20H19N5O/c1-13-9-16(12-26)10-14(2)19(13)24-18-7-8-22-20(25-18)23-17-5-3-15(11-21)4-6-17/h3-10,26H,12H2,1-2H3,(H2,22,23,24,25)
【InChIKey】
InChIKey=QYMDCCDRTJHJIB-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)CO
【MOL File】
4-(4-(4-(HYDROXYMETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(4-(4-(HYDROXYMETHYL)-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE.cml