2-(2-Aminoethylamino)thieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone

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Basic information

CAS: 319442-21-2
Standard SMILES: NCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIKey: OQXNWKGRZLXFQQ-UHFFFAOYSA-N
Molecular formula: C13H12N4OS2
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.04525337

Names & identifiers

Preferred name: 2-(2-Aminoethylamino)thieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
IUPAC: [2-(2-aminoethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

Names & synonyms

SCHEMBL6215001OQXNWKGRZLXFQQ-UHFFFAOYSA-NDTXSID4011509412-(2-aminoethylamino)thieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone319442-21-2[2-[(2-Aminoethyl)amino]thieno[3,2-d]pyrimidin-4-yl]-2-thienylmethanone{2-[(2-Aminoethyl)amino]thieno[3,2-d]pyrimidin-4-yl}(thiophen-2-yl)methanone

Database identifiers

CAS: 319442-21-2
PubChem CID: 22674375
DTXSID: DTXSID401150941

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 137 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 357

Related reactions

7 records

New reaction record

HRID 837117As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 938311As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1005722As reactantuspto-grants-2004_09

HRID 1005723As reactantuspto-grants-2004_09

HRID 1005724As reactantuspto-grants-2004_09

HRID 1005726As reactantuspto-grants-2004_09

HRID 1211061As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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