2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide

C13H17N3O2S — CID 2512072

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H17N3O2S/c1-4-5-14-10(17)6-18-12-11-8(2)9(3)19-13(11)16-7-15-12/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyLSSCHYGKDWFERT-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.21
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide (PubChem CID 2512072) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide
PubChem CID2512072
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H17N3O2S/c1-4-5-14-10(17)6-18-12-11-8(2)9(3)19-13(11)16-7-15-12/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyLSSCHYGKDWFERT-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide (CID 2512072) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide is CCCNC(=O)COc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide?
The InChIKey is LSSCHYGKDWFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-5-14-10(17)6-18-12-11-8(2)9(3)19-13(11)16-7-15-12/h7H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide has a molecular weight of 279.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propylacetamide is sourced from PubChem (CID 2512072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).