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

C17H18N4O4S — CID 118734654

IUPAC4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O
InChIInChI=1S/C17H18N4O4S/c1-9-6-11(16(22)21(7-9)4-5-25-3)20-14-12-10(2)13(17(23)24)26-15(12)19-8-18-14/h6-8H,4-5H2,1-3H3,(H,23,24)(H,18,19,20)
InChIKeyXDXKNUNXEFUWLC-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.56
Rot. Bonds6

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

4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 118734654) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID118734654
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O
InChIInChI=1S/C17H18N4O4S/c1-9-6-11(16(22)21(7-9)4-5-25-3)20-14-12-10(2)13(17(23)24)26-15(12)19-8-18-14/h6-8H,4-5H2,1-3H3,(H,23,24)(H,18,19,20)
InChIKeyXDXKNUNXEFUWLC-UHFFFAOYSA-N
XLogP2.56
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3236381
4-[(1,5-Dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118734653
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
US11311520, Example 93
CID 142402559
US11311520, Example 80
CID 142402624
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734656
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734657
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734658
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-N-(3-methoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734659
US11311520, Example 9
CID 135240041
US11311520, Example 145
CID 135240049

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 118734654) is 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O.
What is the InChIKey of 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XDXKNUNXEFUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-9-6-11(16(22)21(7-9)4-5-25-3)20-14-12-10(2)13(17(23)24)26-15(12)19-8-18-14/h6-8H,4-5H2,1-3H3,(H,23,24)(H,18,19,20).
What are the key properties of 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118734654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).