2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C16H13N3OS — CID 71747836

IUPAC2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cc4ccccc4[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C16H13N3OS/c1-8-9(2)21-16-13(8)15(20)18-14(19-16)12-7-10-5-3-4-6-11(10)17-12/h3-7,17H,1-2H3,(H,18,19,20)
InChIKeyCJILHOQRICFFFA-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.75
Rot. Bonds1

About 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71747836) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71747836
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(-c3cc4ccccc4[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C16H13N3OS/c1-8-9(2)21-16-13(8)15(20)18-14(19-16)12-7-10-5-3-4-6-11(10)17-12/h3-7,17H,1-2H3,(H,18,19,20)
InChIKeyCJILHOQRICFFFA-UHFFFAOYSA-N
XLogP3.75
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 71747836) is 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(-c3cc4ccccc4[nH]3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CJILHOQRICFFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-8-9(2)21-16-13(8)15(20)18-14(19-16)12-7-10-5-3-4-6-11(10)17-12/h3-7,17H,1-2H3,(H,18,19,20).
What are the key properties of 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 295.37 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71747836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).