500293-29-8
4-(4-(4-FORMYL-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
Name4-(4-(4-FORMYL-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
1Identification
【Name】
4-(4-(4-FORMYL-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE
【CAS】
【MDL】
MFCD17014839
【English Synonyms】
【Formula】
C20 H17 N5 O
【MolWeight】
343.388
【Inchi】
InChI=1S/C20H17N5O/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/h3-10,12H,1-2H3,(H2,22,23,24,25)
【InChIKey】
InChIKey=JVBGOWLILCYEFI-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)C=O
【MOL File】
4-(4-(4-FORMYL-2,6-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-(4-FORMYL-2,6-DIMETHYLPHENYLAMINO)PYRIMIDIN-2-YLAMINO)BENZONITRILE.cml