4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid

C11H10N2O2S — CID 62744538

IUPAC4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cccs2)nc(C)c1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-6-9(11(14)15)7(2)13-10(12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyMNNCQBFZOIOKET-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.52
Rot. Bonds2

About 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid

4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid (PubChem CID 62744538) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
PubChem CID62744538
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cccs2)nc(C)c1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-6-9(11(14)15)7(2)13-10(12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyMNNCQBFZOIOKET-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
4-methyl-6-(3-phenylpropylsulfanyl)-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 16773325
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
CID 15314346
4,6-dimethyl-2-thiophen-3-ylpyrimidine-5-carboxylic acid
CID 62745767
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169719
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3,6-dimethyl-2-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)benzoic acid
CID 103431016
4-methyl-6-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 24664087
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
CID 139202565

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid (CID 62744538) is 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid is Cc1nc(-c2cccs2)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is MNNCQBFZOIOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-9(11(14)15)7(2)13-10(12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62744538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).