6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

C14H15N3O2S — CID 81238533

IUPAC6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19)
InChIKeyUQSMQOWATWZOSR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.95
Rot. Bonds3

About 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81238533) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID81238533
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19)
InChIKeyUQSMQOWATWZOSR-UHFFFAOYSA-N
XLogP2.95
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 81238533) is 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is Cc1cc(Sc2nc(C)c(C)c(C)n2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is UQSMQOWATWZOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-5-12(11(6-15-7)13(18)19)20-14-16-9(3)8(2)10(4)17-14/h5-6H,1-4H3,(H,18,19).
What are the key properties of 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81238533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).