53680-92-5
1,3-DIETHYL-1H-PYRROLO[2,3-D]PYRIMIDINE-2,4(3H,7H)-DIONE
Name1,3-DIETHYL-1H-PYRROLO[2,3-D]PYRIMIDINE-2,4(3H,7H)-DIONE
1Identification
【Name】
1,3-DIETHYL-1H-PYRROLO[2,3-D]PYRIMIDINE-2,4(3H,7H)-DIONE
【CAS】
【MDL】
MFCD01686876
【English Synonyms】
【Formula】
C10 H13 N3 O2
【MolWeight】
207.232
【Inchi】
InChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3
【InChIKey】
InChIKey=UWZMYTIVXOEQDV-UHFFFAOYSA-N
【SMILES】
CCn1c2c(cc[nH]2)c(=O)n(c1=O)CC
【MOL File】
1,3-DIETHYL-1H-PYRRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIETHYL-1H-PYRROLO[2,3-D]PYRIMIDINE-2,4(3H,7H)-DIONE.cml