2762-38-1
ETHYL 2,6-DIAMINO-5-(4-CHLOROPHENYL)PYRIMIDINE-4-CARBOXYLATE
NameETHYL 2,6-DIAMINO-5-(4-CHLOROPHENYL)PYRIMIDINE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 2,6-DIAMINO-5-(4-CHLOROPHENYL)PYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD16660542
【English Synonyms】
【Formula】
C13 H13 Cl N4 O2
【MolWeight】
292.725
【Inchi】
InChI=1S/C13H13ClN4O2/c1-2-20-12(19)10-9(11(15)18-13(16)17-10)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3,(H4,15,16,17,18)
【InChIKey】
InChIKey=LKIQXZVPDXBEKM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(nc(n1)N)N)c2ccc(cc2)Cl
【MOL File】
ETHYL 2,6-DIAMINO-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2,6-DIAMINO-5-(4-CHLOROPHENYL)PYRIMIDINE-4-CARBOXYLATE.cml