trivial
DMPX
3,7-DIMETHYL-1-PROPARGYLXANTHINE
systemic
3,7-Dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1'H'-purine-2,6-dione
DMPX
3,7-DIMETHYL-1-PROPARGYLXANTHINE
systemic
3,7-Dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1'H'-purine-2,6-dione
Identifiers
InChIKey: IORPOFJLSIHJOG-UHFFFAOYSA-N
Formula: C10H10N4O2
CAS Registry numbers:
14114-46-6
Descriptors
Bioavailability-related
Molecular weight: 218.08 DaPartition coefficient: -0.93
H bond donors: 0
H bond acceptors: 6
Rotatable bonds: 1
Molar refractivity: 59.05 J mol-1 K-1
Polar surface area: 61.82 Å2
Generic
Stereocenters: 0Heteroatoms: 6
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 2Heterocycles: 2
Aromatic rings: 2
Aromatic carbocycles: 0
Aromatic heterocycles: 2
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0