708254-90-4
ETHYL 4-(2-(4-CYANOPHENYLAMINO)PYRIMIDIN-4-YLAMINO)-3,5-DIMETHYLBENZOATE
NameETHYL 4-(2-(4-CYANOPHENYLAMINO)PYRIMIDIN-4-YLAMINO)-3,5-DIMETHYLBENZOATE
1Identification
【Name】
ETHYL 4-(2-(4-CYANOPHENYLAMINO)PYRIMIDIN-4-YLAMINO)-3,5-DIMETHYLBENZOATE
【CAS】
【MDL】
MFCD17014840
【English Synonyms】
【Formula】
C22 H21 N5 O2
【MolWeight】
387.441
【Inchi】
InChI=1S/C22H21N5O2/c1-4-29-21(28)17-11-14(2)20(15(3)12-17)26-19-9-10-24-22(27-19)25-18-7-5-16(13-23)6-8-18/h5-12H,4H2,1-3H3,(H2,24,25,26,27)
【InChIKey】
InChIKey=HTCFPHOWJWDYHY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C
【MOL File】
ETHYL 4-(2-(4-CYANOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-(2-(4-CYANOPHENYLAMINO)PYRIMIDIN-4-YLAMINO)-3,5-DIMETHYLBENZOATE.cml