2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

C17H16N2O6S — CID 110832659

IUPAC2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C17H16N2O6S/c1-4-11-18-14-12(8(2)13(26-14)16(21)22)15(20)19(11)7-9-5-6-10(25-9)17(23)24-3/h5-6H,4,7H2,1-3H3,(H,21,22)
InChIKeyVWTVYISXXGXPJF-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.45
Rot. Bonds5

About 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 110832659) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID110832659
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C17H16N2O6S/c1-4-11-18-14-12(8(2)13(26-14)16(21)22)15(20)19(11)7-9-5-6-10(25-9)17(23)24-3/h5-6H,4,7H2,1-3H3,(H,21,22)
InChIKeyVWTVYISXXGXPJF-UHFFFAOYSA-N
XLogP2.45
TPSA111.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28895956
5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895850
3-(2-carboxyethyl)-2-(2-methoxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28899982
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
5-[(10-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)methyl]furan-2-carboxylic acid
CID 28895818
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
3-amino-2-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 68663858
5-[(6-ethyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895870
5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 75429505
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
methyl 5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanylmethyl]furan-2-carboxylate
CID 7250226
3-[(2-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoic acid
CID 28895639

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 110832659) is 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is CCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)OC)o1.
What is the InChIKey of 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is VWTVYISXXGXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-4-11-18-14-12(8(2)13(26-14)16(21)22)15(20)19(11)7-9-5-6-10(25-9)17(23)24-3/h5-6H,4,7H2,1-3H3,(H,21,22).
What are the key properties of 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 376.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 110832659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).