2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone

C16H14N2OS — CID 63198918

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone
SMILESCc1sc2ncnc(CC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C16H14N2OS/c1-10-11(2)20-16-15(10)13(17-9-18-16)8-14(19)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKUZOYMYOESUZQH-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.73
Rot. Bonds3

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone (PubChem CID 63198918) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone
PubChem CID63198918
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone
SMILESCc1sc2ncnc(CC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C16H14N2OS/c1-10-11(2)20-16-15(10)13(17-9-18-16)8-14(19)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKUZOYMYOESUZQH-UHFFFAOYSA-N
XLogP3.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone (CID 63198918) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone is Cc1sc2ncnc(CC(=O)c3ccccc3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone?
The InChIKey is KUZOYMYOESUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-11(2)20-16-15(10)13(17-9-18-16)8-14(19)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone has a molecular weight of 282.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanone is sourced from PubChem (CID 63198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).