4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide

C13H10N4O2S — CID 103331970

IUPAC4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccc(Oc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C13H10N4O2S/c14-10(18)7-1-3-8(4-2-7)19-11-9-5-6-20-12(9)17-13(15)16-11/h1-6H,(H2,14,18)(H2,15,16,17)
InChIKeyYPNVHWMVEISZJY-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.16
Rot. Bonds3

About 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide

4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 103331970) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
PubChem CID103331970
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccc(Oc2nc(N)nc3sccc23)cc1
InChIInChI=1S/C13H10N4O2S/c14-10(18)7-1-3-8(4-2-7)19-11-9-5-6-20-12(9)17-13(15)16-11/h1-6H,(H2,14,18)(H2,15,16,17)
InChIKeyYPNVHWMVEISZJY-UHFFFAOYSA-N
XLogP2.16
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide (CID 103331970) is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide is NC(=O)c1ccc(Oc2nc(N)nc3sccc23)cc1.
What is the InChIKey of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The InChIKey is YPNVHWMVEISZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-10(18)7-1-3-8(4-2-7)19-11-9-5-6-20-12(9)17-13(15)16-11/h1-6H,(H2,14,18)(H2,15,16,17).
What are the key properties of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 286.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 103331970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).