3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione

C17H17N3O5S — CID 6486129

IUPAC3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCOCC1
InChIInChI=1S/C17H17N3O5S/c21-14(18-4-7-24-8-5-18)11-19-13-3-9-26-15(13)16(22)20(17(19)23)10-12-2-1-6-25-12/h1-3,6,9H,4-5,7-8,10-11H2
InChIKeyUPZYMGMNAYKVRZ-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.72
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione

3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486129) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486129
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCOCC1
InChIInChI=1S/C17H17N3O5S/c21-14(18-4-7-24-8-5-18)11-19-13-3-9-26-15(13)16(22)20(17(19)23)10-12-2-1-6-25-12/h1-3,6,9H,4-5,7-8,10-11H2
InChIKeyUPZYMGMNAYKVRZ-UHFFFAOYSA-N
XLogP0.72
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103
3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486149
3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486171
N-(3-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486106
3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53366612
4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 6621384
1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486152
3-butyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 46923165
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53366620
N-(2,4-difluorophenyl)-2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428228
N-(2-fluorophenyl)-2-[8-(furan-2-ylmethyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide
CID 53199595

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 6486129) is 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione is O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N1CCOCC1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UPZYMGMNAYKVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-14(18-4-7-24-8-5-18)11-19-13-3-9-26-15(13)16(22)20(17(19)23)10-12-2-1-6-25-12/h1-3,6,9H,4-5,7-8,10-11H2.
What are the key properties of 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione?
3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 375.41 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).