4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid

C11H10N2O3S — CID 107779278

IUPAC4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid
SMILESCc1nc(Sc2ccoc2C)ncc1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-8(10(14)15)5-12-11(13-6)17-9-3-4-16-7(9)2/h3-5H,1-2H3,(H,14,15)
InChIKeyKRIWETHMFFNSLH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.54
Rot. Bonds3

About 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid

4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid (PubChem CID 107779278) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid
PubChem CID107779278
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid
SMILESCc1nc(Sc2ccoc2C)ncc1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-8(10(14)15)5-12-11(13-6)17-9-3-4-16-7(9)2/h3-5H,1-2H3,(H,14,15)
InChIKeyKRIWETHMFFNSLH-UHFFFAOYSA-N
XLogP2.54
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid (CID 107779278) is 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid is Cc1nc(Sc2ccoc2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid?
The InChIKey is KRIWETHMFFNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-8(10(14)15)5-12-11(13-6)17-9-3-4-16-7(9)2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid?
4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylfuran-3-yl)sulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107779278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).