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

C19H16N2O3S — CID 6486149

IUPAC3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21
InChIInChI=1S/C19H16N2O3S/c1-13-5-2-3-6-14(13)11-20-16-8-10-25-17(16)18(22)21(19(20)23)12-15-7-4-9-24-15/h2-10H,11-12H2,1H3
InChIKeyCGSJLGGCNJUDFC-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.22
Rot. Bonds4

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

3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486149) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486149
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21
InChIInChI=1S/C19H16N2O3S/c1-13-5-2-3-6-14(13)11-20-16-8-10-25-17(16)18(22)21(19(20)23)12-15-7-4-9-24-15/h2-10H,11-12H2,1H3
InChIKeyCGSJLGGCNJUDFC-UHFFFAOYSA-N
XLogP3.22
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53366612
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-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53366620
3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486129
3-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2134887
3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331601
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
N-(3-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486106
1-[(2,5-dimethylphenyl)methyl]-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 6486275
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
CID 22428363

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 6486149) is 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is CGSJLGGCNJUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-13-5-2-3-6-14(13)11-20-16-8-10-25-17(16)18(22)21(19(20)23)12-15-7-4-9-24-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 352.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).