3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid

C17H16N2O6S — CID 28895956

IUPAC3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C17H16N2O6S/c1-3-4-11-18-14-12(8(2)13(26-14)17(23)24)15(20)19(11)7-9-5-6-10(25-9)16(21)22/h5-6H,3-4,7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySKUVGKMKLCWRNA-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.76
Rot. Bonds6

About 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid

3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28895956) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28895956
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C17H16N2O6S/c1-3-4-11-18-14-12(8(2)13(26-14)17(23)24)15(20)19(11)7-9-5-6-10(25-9)16(21)22/h5-6H,3-4,7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeySKUVGKMKLCWRNA-UHFFFAOYSA-N
XLogP2.76
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

2-ethyl-3-[(5-methoxycarbonylfuran-2-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 110832659
5-[(6-carbamoyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895850
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
3-(2-carboxyethyl)-2-(2-methoxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28899982
4-[(4-oxo-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoic acid
CID 28895467
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
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
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896745
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 82144541
7,7-dibromo-3-[(5-bromofuran-2-yl)methyl]-2-propyl-5,6-dihydro-[1]benzothiolo[2,3-d]pyrimidine-4,8-dione
CID 59854726
5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 75429505

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 28895956) is 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid is CCCc1nc2sc(C(=O)O)c(C)c2c(=O)n1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is SKUVGKMKLCWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-3-4-11-18-14-12(8(2)13(26-14)17(23)24)15(20)19(11)7-9-5-6-10(25-9)16(21)22/h5-6H,3-4,7H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid?
3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 376.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carboxyfuran-2-yl)methyl]-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28895956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).