Basic information
- CAS
106807-55-0- Standard SMILES
CCCCc1nc2sc3c(c2c(=O)n1N)CC(C)CC3- InChIKey
UPKVWLUKLUCYKS-UHFFFAOYSA-N- Molecular formula
- C15H21N3OS
- Average molar mass
- 291.4 g/mol
Names & identifiers
- Preferred name
- 3-amino-2-butyl-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 3-amino-2-butyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 3-amino-2-butyl-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C15H21N3OS
- Molecular weight
- 291.41
Names & synonyms
3-amino-2-butyl-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one106807-55-03-amino-2-butyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-oneOprea1_117819STK051233AKOS005385750AK-968/12097092SR-01000232394SR-01000232394-13-amino-2-butyl-6-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-2-butyl-5,6,7,8-tetrahydro-6-methyl-
Database identifiers
- CAS
106807-55-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 158 · 158-161 °C
- Boiling point
- 490.9 · 490.9±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 0.22 · 0.22±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…