1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

C17H20N2O3S — CID 24757306

IUPAC1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(CC(C)C)c(=O)c2c(C)c(-c3ccco3)sc21
InChIInChI=1S/C17H20N2O3S/c1-5-18-16-13(15(20)19(17(18)21)9-10(2)3)11(4)14(23-16)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3
InChIKeyGYKMASORTIXMGF-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.47
Rot. Bonds4

About 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione

1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 24757306) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24757306
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(CC(C)C)c(=O)c2c(C)c(-c3ccco3)sc21
InChIInChI=1S/C17H20N2O3S/c1-5-18-16-13(15(20)19(17(18)21)9-10(2)3)11(4)14(23-16)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3
InChIKeyGYKMASORTIXMGF-UHFFFAOYSA-N
XLogP3.47
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 24757306) is 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)n(CC(C)C)c(=O)c2c(C)c(-c3ccco3)sc21.
What is the InChIKey of 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GYKMASORTIXMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-5-18-16-13(15(20)19(17(18)21)9-10(2)3)11(4)14(23-16)12-7-6-8-22-12/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(furan-2-yl)-5-methyl-3-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 24757306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).