22721-36-4

11-amino-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Also Known As: Oprea1_478417|5-amino-6-methyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one|3-amino-2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one|5-Butyl-thiophene-2-carbaldehyde|7752AD|NCGC00246067-01|3-amino-2-methyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|F1142-1384|4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7-tetrahydro-3-amino-2-methyl-|11-amino-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one|3-Amino-2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta(4,5)thieno(2,3-d)pyrmidin-4-one|3-amino-2-methyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen- 4-one|11-AMINO-10-METHYL-7-THIA-9,11-DIAZATRICYCLO[6.4.0.0(2),?]DODECA-1(8),2(6),9-TRIEN-12-ONE|11-amino-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one

Molecular Formula	C10H11N3OS
Molecular Weight	221.06229 g/mol
LogP	0.8
Topological Polar Surface Area	86.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	221.06229
Monoisotopic Mass	221.06229
Heavy Atoms	15
Complexity	344.0
Solubility	32.3 [ug/mL] (The mean of the results at pH 7.4)

Chemical Identifiers

CAS Number	25736-79-2
SMILES	CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1N
InChIKey	DXLFRWQJBROIJS-UHFFFAOYSA-N