3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

C20H17N3O3S — CID 156601363

IUPAC3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccnc3)c2=O)cc1
InChIInChI=1S/C20H17N3O3S/c1-2-26-16-7-5-15(6-8-16)23-19(24)18-17(9-11-27-18)22(20(23)25)13-14-4-3-10-21-12-14/h3-12H,2,13H2,1H3
InChIKeyUDQPOVROHFXPLJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.06
Rot. Bonds5

About 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 156601363) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID156601363
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccnc3)c2=O)cc1
InChIInChI=1S/C20H17N3O3S/c1-2-26-16-7-5-15(6-8-16)23-19(24)18-17(9-11-27-18)22(20(23)25)13-14-4-3-10-21-12-14/h3-12H,2,13H2,1H3
InChIKeyUDQPOVROHFXPLJ-UHFFFAOYSA-N
XLogP3.06
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 156601363) is 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is CCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccnc3)c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UDQPOVROHFXPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-26-16-7-5-15(6-8-16)23-19(24)18-17(9-11-27-18)22(20(23)25)13-14-4-3-10-21-12-14/h3-12H,2,13H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 379.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156601363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).