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

C15H14N2O2S — CID 10636956

IUPAC2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)13-16-14(18)11-7-9-20-15(11)17-13/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyCIPCZQRWMACGNQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.44
Rot. Bonds4

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

2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 10636956) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID10636956
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2sccc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)13-16-14(18)11-7-9-20-15(11)17-13/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyCIPCZQRWMACGNQ-UHFFFAOYSA-N
XLogP3.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 10636956) is 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2sccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CIPCZQRWMACGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)13-16-14(18)11-7-9-20-15(11)17-13/h3-7,9H,2,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10636956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).