2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone

C20H22N2O2S2 — CID 1463283

IUPAC2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCCCc1nc(SCC(=O)c2cccc(OC)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H22N2O2S2/c1-5-7-17-21-19(18-12(2)13(3)26-20(18)22-17)25-11-16(23)14-8-6-9-15(10-14)24-4/h6,8-10H,5,7,11H2,1-4H3
InChIKeySQWIREGGARNQKR-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.24
Rot. Bonds7

About 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone

2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone (PubChem CID 1463283) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
PubChem CID1463283
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCCCc1nc(SCC(=O)c2cccc(OC)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H22N2O2S2/c1-5-7-17-21-19(18-12(2)13(3)26-20(18)22-17)25-11-16(23)14-8-6-9-15(10-14)24-4/h6,8-10H,5,7,11H2,1-4H3
InChIKeySQWIREGGARNQKR-UHFFFAOYSA-N
XLogP5.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone (CID 1463283) is 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone is CCCc1nc(SCC(=O)c2cccc(OC)c2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The InChIKey is SQWIREGGARNQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-5-7-17-21-19(18-12(2)13(3)26-20(18)22-17)25-11-16(23)14-8-6-9-15(10-14)24-4/h6,8-10H,5,7,11H2,1-4H3.
What are the key properties of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone?
2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone has a molecular weight of 386.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 1463283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).