4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C15H14N4O3S — CID 118734653

IUPAC4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n(C)c1
InChIInChI=1S/C15H14N4O3S/c1-7-4-9(14(20)19(3)5-7)18-12-10-8(2)11(15(21)22)23-13(10)17-6-16-12/h4-6H,1-3H3,(H,21,22)(H,16,17,18)
InChIKeyHSJFJXIKCSINLE-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.45
Rot. Bonds3

About 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 118734653) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID118734653
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n(C)c1
InChIInChI=1S/C15H14N4O3S/c1-7-4-9(14(20)19(3)5-7)18-12-10-8(2)11(15(21)22)23-13(10)17-6-16-12/h4-6H,1-3H3,(H,21,22)(H,16,17,18)
InChIKeyHSJFJXIKCSINLE-UHFFFAOYSA-N
XLogP2.45
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

4-(4-Fluoro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118242667
Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733150
5-Methyl-4-(2-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 2948575
4-[(4-Fluorophenyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855509
4-[[1-(2-Methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118734654
4-[[1-(2-Methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734660
5-Methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118734662
5-Methyl-4-(methylamino)-2-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137631633
US11311520, Example 93
CID 142402559
US11311520, Example 80
CID 142402624
2,5-Dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid
CID 3244005
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734656

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 118734653) is 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c(=O)n(C)c1.
What is the InChIKey of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is HSJFJXIKCSINLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-7-4-9(14(20)19(3)5-7)18-12-10-8(2)11(15(21)22)23-13(10)17-6-16-12/h4-6H,1-3H3,(H,21,22)(H,16,17,18).
What are the key properties of 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 330.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118734653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).