4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid

C10H8N2O4S2 — CID 57494366

IUPAC4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(SCC(=O)O)ncnc12
InChIInChI=1S/C10H8N2O4S2/c1-4-6-8(18-7(4)10(15)16)9(12-3-11-6)17-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyQOTHXDHEUMHPEU-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.87
Rot. Bonds4

About 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid

4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 57494366) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID57494366
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(SCC(=O)O)ncnc12
InChIInChI=1S/C10H8N2O4S2/c1-4-6-8(18-7(4)10(15)16)9(12-3-11-6)17-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyQOTHXDHEUMHPEU-UHFFFAOYSA-N
XLogP1.87
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid (CID 57494366) is 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2c(SCC(=O)O)ncnc12.
What is the InChIKey of 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is QOTHXDHEUMHPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c1-4-6-8(18-7(4)10(15)16)9(12-3-11-6)17-2-5(13)14/h3H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid?
4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 57494366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).