ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate

C17H16N2O4S — CID 30849928

IUPACethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O
InChIInChI=1S/C17H16N2O4S/c1-3-23-14(20)8-19-10-18-15-13(9-24-16(15)17(19)21)11-4-6-12(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyDRJFGRVRPBPZFJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate

ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate (PubChem CID 30849928) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
PubChem CID30849928
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O
InChIInChI=1S/C17H16N2O4S/c1-3-23-14(20)8-19-10-18-15-13(9-24-16(15)17(19)21)11-4-6-12(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3
InChIKeyDRJFGRVRPBPZFJ-UHFFFAOYSA-N
XLogP2.70
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate?
The IUPAC name of ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate (CID 30849928) is ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate is CCOC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O.
What is the InChIKey of ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate?
The InChIKey is DRJFGRVRPBPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-23-14(20)8-19-10-18-15-13(9-24-16(15)17(19)21)11-4-6-12(22-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate?
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate has a molecular weight of 344.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 30849928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).