705291-51-6
PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-
NamePYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-
1Identification
【Name】
PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-
【CAS】
【MDL】
MFCD11044718
【English Synonyms】
【Formula】
C11 H12 Cl N3 O
【MolWeight】
237.689
【Inchi】
InChI=1S/C11H12ClN3O/c1-11(2,3)10-14-7-5-13-8(12)4-6(7)9(16)15-10/h4-5H,1-3H3,(H,14,15,16)
【InChIKey】
InChIKey=JGAAKUKAQYPRTA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1[nH]c(=O)c2cc(ncc2n1)Cl
【MOL File】
PYRIDO[3,4-D]PYRIMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 6-CHLORO-2-(1,1-DIMETHYLETHYL)-.cml