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

C14H12N2O3S — CID 733738

IUPAC5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyRWLQETKYSDXWBL-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.67
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 733738) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID733738
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyRWLQETKYSDXWBL-UHFFFAOYSA-N
XLogP2.67
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2132733
5-(4-Methoxy-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 709188
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545
N-[(3-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 69247150
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 631160
5-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 1082750
5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 1082752
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 1082773
5-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 1082777

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 733738) is 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3nc[nH]c(=O)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RWLQETKYSDXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(17)15-7-16-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 288.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 733738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).