2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid

C14H15N3O2 — CID 116896346

IUPAC2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(-c2ccccn2)n1
InChIInChI=1S/C14H15N3O2/c1-3-10(14(18)19)13-16-9(2)8-12(17-13)11-6-4-5-7-15-11/h4-8,10H,3H2,1-2H3,(H,18,19)
InChIKeyMIQMTDICLAQBHC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid

2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid (PubChem CID 116896346) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
PubChem CID116896346
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cc(-c2ccccn2)n1
InChIInChI=1S/C14H15N3O2/c1-3-10(14(18)19)13-16-9(2)8-12(17-13)11-6-4-5-7-15-11/h4-8,10H,3H2,1-2H3,(H,18,19)
InChIKeyMIQMTDICLAQBHC-UHFFFAOYSA-N
XLogP2.43
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116894218
2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116895897
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butanoic acid
CID 116896352
2-(4-benzoylphenyl)butanoic acid
CID 22621594
propane;2-pyridin-2-ylpyridine
CID 158168510
[1-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116896211
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
5-[(1S)-1-[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]propyl]-1H-1,2,4-triazole-3-carboxylic acid
CID 167837617
pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
CID 69498944
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The IUPAC name of 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid (CID 116896346) is 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The canonical SMILES for 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid is CCC(C(=O)O)c1nc(C)cc(-c2ccccn2)n1.
What is the InChIKey of 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The InChIKey is MIQMTDICLAQBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-10(14(18)19)13-16-9(2)8-12(17-13)11-6-4-5-7-15-11/h4-8,10H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 116896346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).