3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C13H18N2O3S — CID 45240631

IUPAC3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCOCC(O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H18N2O3S/c1-4-18-6-10(16)5-15-7-14-12-11(13(15)17)8(2)9(3)19-12/h7,10,16H,4-6H2,1-3H3
InChIKeyQUGWOLGFQSUJGI-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.47
Rot. Bonds5

About 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 45240631) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID45240631
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCOCC(O)Cn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C13H18N2O3S/c1-4-18-6-10(16)5-15-7-14-12-11(13(15)17)8(2)9(3)19-12/h7,10,16H,4-6H2,1-3H3
InChIKeyQUGWOLGFQSUJGI-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-hydroxybutanoate
CID 82771268
3-[(2R)-2,3-dihydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7232415
3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 36519787
3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 71899170
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46529527
3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 26009764
3-[2-hydroxy-3-(2-methylpropylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115475629
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-(3,3-diethoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 63628612
butan-2-yl 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 47588749
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
3-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51086565

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 45240631) is 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCOCC(O)Cn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is QUGWOLGFQSUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-18-6-10(16)5-15-7-14-12-11(13(15)17)8(2)9(3)19-12/h7,10,16H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-hydroxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 45240631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).