Basic information
- CAS
378196-88-4- Standard SMILES
c1ccc(-c2cc3c(N4CCCC4)ncnc3s2)cc1- InChIKey
POIBQBDMOHFCFL-UHFFFAOYSA-N- Molecular formula
- C16H15N3S
- Average molar mass
- 281.4 g/mol
Names & identifiers
- Preferred name
- 1-{6-Phenylthieno[2,3-d]pyrimidin-4-yl}pyrrolidine
- IUPAC
- 6-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
- English name
- 6-phenyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine
- Molecular formula
- C16H15N3S
- Molecular weight
- 281.38
Names & synonyms
378196-88-41-{6-phenylthieno[2,3-d]pyrimidin-4-yl}pyrrolidine6-phenyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine6-phenyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine6-phenyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine6-PHENYL-4-(1-PYRROLIDINYL)THIENO(2,3-D)PYRIMIDINEMaybridge2_000543Oprea1_872491MLS001017703CHEMBL1419665HMS1304I15HMS2597K12
Show more names
Thieno[2,3-d]pyrimidine, 6-phenyl-4-(1-pyrrolidinyl)-
HMS3382C17AKOS001053559CCG-240583SMR000353943CS-0269832ST500511676-phenyl-4-pyrrolidinylthiopheno[2,3-d]pyrimidineAF-399/15539156
Database identifiers
- CAS
378196-88-4- ChEMBL
CHEMBL1419665
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 484.6 · 484.6±40.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.40(Predicted)
Chemistry & industry
Suppliers1 total
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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