Basic information
- CAS
124959-58-6- Standard SMILES
CN(CCCN)CCCNc1nc(-c2cccs2)cc(-c2cccs2)n1- InChIKey
WVNGZWDGAWCHDB-UHFFFAOYSA-N- Molecular formula
- C19H25N5S2
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.15513817
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(3-aminopropyl)-N'-(4,6-di-2-thienyl-2-pyrimidinyl)-N-methyl-
- IUPAC
- N'-[3-[(4,6-dithiophen-2-ylpyrimidin-2-yl)amino]propyl]-N'-methylpropane-1,3-diamine
Names & synonyms
124959-58-64,6-Dithienyl-2-NHPrN(Me)PrNH2-Pyr1,3-Propanediamine, N-(3-aminopropyl)-N'-(4,6-di-2-thienyl-2-pyrimidinyl)-N-methyl-DTXSID70154529N'-[3-[[4,6-bis(2-thienyl)pyrimidin-2-yl]amino]propyl]-N'-methyl-propane-1,3-diamineN-(3-aminopropyl)-N'-(4,6-di-2-thienyl-2-pyrimidinyl)-N-methyl-1,3-propanediamine - unfused tricyclic pyrimidine derivativeN~1~-(3-Aminopropyl)-N~3~-[4,6-di(thiophen-2-yl)pyrimidin-2-yl]-N~1~-methylpropane-1,3-diamine
Database identifiers
- CAS
124959-58-6- PubChem CID
- 452525
- DTXSID
DTXSID70154529
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…