3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C21H20N2O3S — CID 53366612

IUPAC3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1
InChIInChI=1S/C21H20N2O3S/c1-13-9-14(2)17(15(3)10-13)12-22-18-6-8-27-19(18)20(24)23(21(22)25)11-16-5-4-7-26-16/h4-10H,11-12H2,1-3H3
InChIKeyIMCHTEWSZWEVDY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.84
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53366612) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53366612
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1
InChIInChI=1S/C21H20N2O3S/c1-13-9-14(2)17(15(3)10-13)12-22-18-6-8-27-19(18)20(24)23(21(22)25)11-16-5-4-7-26-16/h4-10H,11-12H2,1-3H3
InChIKeyIMCHTEWSZWEVDY-UHFFFAOYSA-N
XLogP3.84
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486149
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-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428059
3-(furan-2-ylmethyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486129
N-(3-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486106
2-[2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 18592412
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
N-(furan-2-ylmethyl)-2-[4-[1-[(4-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428267
1-[(2,5-dimethylphenyl)methyl]-3-ethylthieno[3,2-d]pyrimidine-2,4-dione
CID 6486275
3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486274

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 53366612) is 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is Cc1cc(C)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(C)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IMCHTEWSZWEVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-9-14(2)17(15(3)10-13)12-22-18-6-8-27-19(18)20(24)23(21(22)25)11-16-5-4-7-26-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 3.84, 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-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53366612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).