2,2-dimethoxyethyl-[7-methyl-2-(methylthio)-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-yl]amine
Basic information
- CAS
843638-52-8- Standard SMILES
COC(CNc1nc(SC)nc2sc3c(c12)CCN(C)C3)OC- InChIKey
KXJASCAFXNJTIL-UHFFFAOYSA-N- Molecular formula
- C15H22N4O2S2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.1184183
Names & identifiers
- Preferred name
- 2,2-dimethoxyethyl-[7-methyl-2-(methylthio)-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-yl]amine
- IUPAC
- N-(2,2-dimethoxyethyl)-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Names & synonyms
MLS001215082SMR000543141N-(2,2-dimethoxyethyl)-7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine843638-52-8CHEMBL1307084BDBM69741cid_1998251DTXSID901325315HMS2886G23STL342424AKOS0221206992,2-dimethoxyethyl-[7-methyl-2-(methylthio)-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-yl]amine
Show more names
N-(2,2-dimethoxyethyl)-11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amineN-(2,2-dimethoxyethyl)-7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amineN-(2,2-dimethoxyethyl)-7-methyl-2-(methylthio)-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-amineN-(2,2-dimethoxyethyl)-7-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-4-amine
Database identifiers
- CAS
843638-52-8- PubChem CID
- 1998251
- DTXSID
DTXSID901325315- ChEMBL
CHEMBL1307084
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility52.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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