2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid

C11H10N2O3S — CID 17485412

IUPAC2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-8(11(14)15)10(17-2)13-9(12-6)7-4-3-5-16-7/h3-5H,1-2H3,(H,14,15)
InChIKeyPGNDWIUHNXRXQF-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.47
Rot. Bonds3

About 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid

2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 17485412) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
PubChem CID17485412
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-6-8(11(14)15)10(17-2)13-9(12-6)7-4-3-5-16-7/h3-5H,1-2H3,(H,14,15)
InChIKeyPGNDWIUHNXRXQF-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid (CID 17485412) is 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid is CSc1nc(-c2ccco2)nc(C)c1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is PGNDWIUHNXRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-8(11(14)15)10(17-2)13-9(12-6)7-4-3-5-16-7/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid?
2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 17485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).