2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C12H10N2O2S — CID 71878818

IUPAC2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccoc3)[nH]c(=O)c2c1C
InChIInChI=1S/C12H10N2O2S/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-3-4-16-5-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyNHIKEJUFBKZJPR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.86
Rot. Bonds1

About 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71878818) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71878818
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3ccoc3)[nH]c(=O)c2c1C
InChIInChI=1S/C12H10N2O2S/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-3-4-16-5-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyNHIKEJUFBKZJPR-UHFFFAOYSA-N
XLogP2.86
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 71878818) is 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3ccoc3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NHIKEJUFBKZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-3-4-16-5-8/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 246.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71878818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).