N-butyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Basic information
- CAS
900880-52-6- Standard SMILES
CCCCNc1ncnc2sc3c(c12)CCN(CCC)C3- InChIKey
HVSWJMBSSJJWTD-UHFFFAOYSA-N- Molecular formula
- C16H24N4S
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.17216796
Names & identifiers
- Preferred name
- N-butyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
- IUPAC
- N-butyl-11-propyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Names & synonyms
N-butyl-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine900880-52-6MLS001216401CHEMBL1339392DTXSID001323417HMS2869H03STK599361AKOS005520185SMR000544209N-butyl-11-propyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Database identifiers
- CAS
900880-52-6- PubChem CID
- 4907461
- DTXSID
DTXSID001323417- ChEMBL
CHEMBL1339392
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Solubility44.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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