6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one

C19H22N2O3S — CID 24657952

IUPAC6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(OCC(O)Cn2cnc3sc(CC)cc3c2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-13-5-7-15(8-6-13)24-11-14(22)10-21-12-20-18-17(19(21)23)9-16(4-2)25-18/h5-9,12,14,22H,3-4,10-11H2,1-2H3
InChIKeyWGTRKMHRDZIWPW-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds7

About 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 24657952) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID24657952
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(OCC(O)Cn2cnc3sc(CC)cc3c2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-13-5-7-15(8-6-13)24-11-14(22)10-21-12-20-18-17(19(21)23)9-16(4-2)25-18/h5-9,12,14,22H,3-4,10-11H2,1-2H3
InChIKeyWGTRKMHRDZIWPW-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5,6-dimethylpyrimidin-4-one
CID 86786950
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 24562534
6-ethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)thieno[2,3-d]pyrimidin-4-one
CID 86792550
3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94182767
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24562552
3-[2-(4-aminophenoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94751726
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one
CID 24658776
ethyl 3-[3-(3-ethylphenoxy)-2-hydroxypropyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55467238
4-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethoxy]benzonitrile
CID 35380492
3-(3-chloro-2-hydroxypropyl)-6-pentylthieno[2,3-d]pyrimidin-4-one
CID 118280346
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one (CID 24657952) is 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one is CCc1ccc(OCC(O)Cn2cnc3sc(CC)cc3c2=O)cc1.
What is the InChIKey of 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WGTRKMHRDZIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-13-5-7-15(8-6-13)24-11-14(22)10-21-12-20-18-17(19(21)23)9-16(4-2)25-18/h5-9,12,14,22H,3-4,10-11H2,1-2H3.
What are the key properties of 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 358.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24657952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).