7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid

C13H10N4O2S2 — CID 90838638

IUPAC7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(/N=N/Cc3cccs3)ncnc12
InChIInChI=1S/C13H10N4O2S2/c1-7-9-11(21-10(7)13(18)19)12(15-6-14-9)17-16-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H,18,19)/b17-16+
InChIKeyLORVEKODZGCPHA-WUKNDPDISA-N
MW318.38 g/mol
LogP4.04
Rot. Bonds4

About 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid

7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 90838638) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID90838638
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC Name7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(/N=N/Cc3cccs3)ncnc12
InChIInChI=1S/C13H10N4O2S2/c1-7-9-11(21-10(7)13(18)19)12(15-6-14-9)17-16-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H,18,19)/b17-16+
InChIKeyLORVEKODZGCPHA-WUKNDPDISA-N
XLogP4.04
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(Methylamino)-2-(2-phenylethyl)thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 137641399
4-[[[6-(4-Fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]benzoic acid
CID 90691742
7-(4-Fluorophenyl)-2-methylsulfanylthieno[3,2-d]pyrimidine-6-carboxylic acid
CID 152322190
4-Fluoro-3-thieno[3,2-d]pyrimidin-4-ylsulfanylbenzoic acid
CID 80557234
4-Fluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686165
2-Fluoro-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686170
2-Fluoro-5-thieno[3,2-d]pyrimidin-4-ylsulfanylbenzoic acid
CID 104067368
4-[[[2-(Thiophen-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid
CID 10194240
4-(Carboxymethylsulfanyl)-7-methylthieno[3,2-d]pyrimidine-6-carboxylic acid
CID 57494366
3,5-Dimethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-4-carboxylic acid
CID 61632337
3-(2-Aminothieno[3,2-d]pyrimidin-7-yl)benzoic acid
CID 67120145
2-[(3-Pyridinylmethyl)amino]thieno[3,2-d]pyrimidine-4-carboxylic acid
CID 68733038

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid (CID 90838638) is 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2c(/N=N/Cc3cccs3)ncnc12.
What is the InChIKey of 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is LORVEKODZGCPHA-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10N4O2S2/c1-7-9-11(21-10(7)13(18)19)12(15-6-14-9)17-16-5-8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H,18,19)/b17-16+.
What are the key properties of 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid?
7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(thiophen-2-ylmethyldiazenyl)thieno[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90838638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).