5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C16H16N2O2S — CID 10828080

IUPAC5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2scc(C)c2c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)14-17-15(19)13-10(2)9-21-16(13)18-14/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyXNNVIRKXMRBRIZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.75
Rot. Bonds4

About 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 10828080) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID10828080
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2scc(C)c2c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)14-17-15(19)13-10(2)9-21-16(13)18-14/h4-7,9H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyXNNVIRKXMRBRIZ-UHFFFAOYSA-N
XLogP3.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 10828080) is 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2scc(C)c2c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XNNVIRKXMRBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-8-20-12-7-5-4-6-11(12)14-17-15(19)13-10(2)9-21-16(13)18-14/h4-7,9H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10828080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).