5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid

C15H13N3O5S — CID 28895850

IUPAC5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1c(C(N)=O)sc2nc(C)n(Cc3ccc(C(=O)O)o3)c(=O)c12
InChIInChI=1S/C15H13N3O5S/c1-6-10-13(24-11(6)12(16)19)17-7(2)18(14(10)20)5-8-3-4-9(23-8)15(21)22/h3-4H,5H2,1-2H3,(H2,16,19)(H,21,22)
InChIKeyAVSIIRJWRVROPN-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.51
Rot. Bonds4

About 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid

5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 28895850) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID28895850
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1c(C(N)=O)sc2nc(C)n(Cc3ccc(C(=O)O)o3)c(=O)c12
InChIInChI=1S/C15H13N3O5S/c1-6-10-13(24-11(6)12(16)19)17-7(2)18(14(10)20)5-8-3-4-9(23-8)15(21)22/h3-4H,5H2,1-2H3,(H2,16,19)(H,21,22)
InChIKeyAVSIIRJWRVROPN-UHFFFAOYSA-N
XLogP1.51
TPSA128.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-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-[(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
2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 110832659
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
ethyl 2,5-dimethyl-3-[(2-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 22330493
5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 82061776
3-benzyl-5-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 70692922
5-[(6-ethyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895870
4-[6-carbamoyl-5-methyl-2-(naphthalen-1-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 110832590
4-(6-carbamoyl-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896510
5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 75429505
3-amino-2-[(3,4-dichlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 68663858

Frequently Asked Questions

What is the IUPAC name of 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid (CID 28895850) is 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid is Cc1c(C(N)=O)sc2nc(C)n(Cc3ccc(C(=O)O)o3)c(=O)c12.
What is the InChIKey of 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is AVSIIRJWRVROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-6-10-13(24-11(6)12(16)19)17-7(2)18(14(10)20)5-8-3-4-9(23-8)15(21)22/h3-4H,5H2,1-2H3,(H2,16,19)(H,21,22).
What are the key properties of 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 347.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 28895850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).