3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

C16H16N2O3S — CID 948890

IUPAC3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(C)n(CCO)c(=O)c23)cc1
InChIInChI=1S/C16H16N2O3S/c1-10-17-15-14(16(20)18(10)7-8-19)13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9,19H,7-8H2,1-2H3
InChIKeyLDIMJZJDARAVHH-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.43
Rot. Bonds4

About 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 948890) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID948890
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3nc(C)n(CCO)c(=O)c23)cc1
InChIInChI=1S/C16H16N2O3S/c1-10-17-15-14(16(20)18(10)7-8-19)13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9,19H,7-8H2,1-2H3
InChIKeyLDIMJZJDARAVHH-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (CID 948890) is 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3nc(C)n(CCO)c(=O)c23)cc1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is LDIMJZJDARAVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-17-15-14(16(20)18(10)7-8-19)13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9,19H,7-8H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 316.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 948890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).