4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C10H10N2O3S2 — CID 65365705

IUPAC4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCSc1ncnc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C10H10N2O3S2/c1-5-6-8(16-4-15-2)11-3-12-9(6)17-7(5)10(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyCNTNBJNKSDYJOP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.39
Rot. Bonds4

About 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 65365705) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID65365705
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOCSc1ncnc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C10H10N2O3S2/c1-5-6-8(16-4-15-2)11-3-12-9(6)17-7(5)10(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyCNTNBJNKSDYJOP-UHFFFAOYSA-N
XLogP2.39
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 65365705) is 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is COCSc1ncnc2sc(C(=O)O)c(C)c12.
What is the InChIKey of 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is CNTNBJNKSDYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-5-6-8(16-4-15-2)11-3-12-9(6)17-7(5)10(13)14/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylsulfanyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 65365705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).