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

C14H12N4O3S — CID 118734662

IUPAC5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3ccc(=O)n(C)c3)c12
InChIInChI=1S/C14H12N4O3S/c1-7-10-12(17-8-3-4-9(19)18(2)5-8)15-6-16-13(10)22-11(7)14(20)21/h3-6H,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyVFTFTXKIPLEFNR-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.14
Rot. Bonds3

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

5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 118734662) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID118734662
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3ccc(=O)n(C)c3)c12
InChIInChI=1S/C14H12N4O3S/c1-7-10-12(17-8-3-4-9(19)18(2)5-8)15-6-16-13(10)22-11(7)14(20)21/h3-6H,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyVFTFTXKIPLEFNR-UHFFFAOYSA-N
XLogP2.14
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 118734662) is 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(Nc3ccc(=O)n(C)c3)c12.
What is the InChIKey of 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is VFTFTXKIPLEFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-7-10-12(17-8-3-4-9(19)18(2)5-8)15-6-16-13(10)22-11(7)14(20)21/h3-6H,1-2H3,(H,20,21)(H,15,16,17).
What are the key properties of 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118734662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).