2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

C12H17N5OS — CID 103325810

IUPAC2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(N)nc2sccc12
InChIInChI=1S/C12H17N5OS/c1-4-17(7-9(18)16(2)3)10-8-5-6-19-11(8)15-12(13)14-10/h5-6H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyWPFNKVUZKMGEGL-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 103325810) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID103325810
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(N)nc2sccc12
InChIInChI=1S/C12H17N5OS/c1-4-17(7-9(18)16(2)3)10-8-5-6-19-11(8)15-12(13)14-10/h5-6H,4,7H2,1-3H3,(H2,13,14,15)
InChIKeyWPFNKVUZKMGEGL-UHFFFAOYSA-N
XLogP1.19
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (CID 103325810) is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc(N)nc2sccc12.
What is the InChIKey of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is WPFNKVUZKMGEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-17(7-9(18)16(2)3)10-8-5-6-19-11(8)15-12(13)14-10/h5-6H,4,7H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).