2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid

C13H13N3O2S — CID 70651137

IUPAC2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid
SMILESCC(C)(Sc1cncnc1-c1ccccn1)C(=O)O
InChIInChI=1S/C13H13N3O2S/c1-13(2,12(17)18)19-10-7-14-8-16-11(10)9-5-3-4-6-15-9/h3-8H,1-2H3,(H,17,18)
InChIKeyIAXQWIAQKQXQHZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid

2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid (PubChem CID 70651137) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid
PubChem CID70651137
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid
SMILESCC(C)(Sc1cncnc1-c1ccccn1)C(=O)O
InChIInChI=1S/C13H13N3O2S/c1-13(2,12(17)18)19-10-7-14-8-16-11(10)9-5-3-4-6-15-9/h3-8H,1-2H3,(H,17,18)
InChIKeyIAXQWIAQKQXQHZ-UHFFFAOYSA-N
XLogP2.49
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[4-(2-phenyl-4-pyridinyl)pyrimidin-5-yl]sulfanylpropanoic acid
CID 123462880
2-(4-cinnolin-8-ylpyrimidin-5-yl)sulfanyl-2-methylpropanoic acid
CID 70650358
2-[4-[6-(dimethylamino)-1H-indol-4-yl]pyrimidin-5-yl]sulfanyl-2-methylpropanoic acid
CID 70650369
2-methyl-2-[(4-naphthalen-2-yl-3-pyridinyl)sulfanyl]propanoic acid
CID 70650330
2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 82237250
2-(5-iodopyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
CID 81230471
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
2-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 81223443
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid (CID 70651137) is 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid is CC(C)(Sc1cncnc1-c1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid?
The InChIKey is IAXQWIAQKQXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-13(2,12(17)18)19-10-7-14-8-16-11(10)9-5-3-4-6-15-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid?
2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-pyridin-2-ylpyrimidin-5-yl)sulfanylpropanoic acid is sourced from PubChem (CID 70651137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).