1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

C19H15FN2O4S — CID 53366620

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1F
InChIInChI=1S/C19H15FN2O4S/c1-25-16-5-4-12(9-14(16)20)10-21-15-6-8-27-17(15)18(23)22(19(21)24)11-13-3-2-7-26-13/h2-9H,10-11H2,1H3
InChIKeyQKHMOQUTBKNQFW-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.06
Rot. Bonds5

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53366620) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53366620
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1F
InChIInChI=1S/C19H15FN2O4S/c1-25-16-5-4-12(9-14(16)20)10-21-15-6-8-27-17(15)18(23)22(19(21)24)11-13-3-2-7-26-13/h2-9H,10-11H2,1H3
InChIKeyQKHMOQUTBKNQFW-UHFFFAOYSA-N
XLogP3.06
TPSA66.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486152
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331541
3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53366612
3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486149
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103
3-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2134888
N-(3-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486106
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922656
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486129
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46922635
4-[[1-(2-amino-2-oxoethyl)-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22428340

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53366620) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is QKHMOQUTBKNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-25-16-5-4-12(9-14(16)20)10-21-15-6-8-27-17(15)18(23)22(19(21)24)11-13-3-2-7-26-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 386.40 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 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).