3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid

C14H15N3O2 — CID 116894218

IUPAC3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
SMILESCc1cc(-c2ccccn2)nc(C(C)CC(=O)O)n1
InChIInChI=1S/C14H15N3O2/c1-9(7-13(18)19)14-16-10(2)8-12(17-14)11-5-3-4-6-15-11/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyDCRXTQFYDYTAFV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.43
Rot. Bonds4

About 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid

3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid (PubChem CID 116894218) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
PubChem CID116894218
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
SMILESCc1cc(-c2ccccn2)nc(C(C)CC(=O)O)n1
InChIInChI=1S/C14H15N3O2/c1-9(7-13(18)19)14-16-10(2)8-12(17-14)11-5-3-4-6-15-11/h3-6,8-9H,7H2,1-2H3,(H,18,19)
InChIKeyDCRXTQFYDYTAFV-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

2-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116896346
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butanoic acid
CID 116894215
2-amino-3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)propanoic acid
CID 116895897
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 899137
[1-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116896211
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide
CID 177498164
3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 116886784
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The IUPAC name of 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid (CID 116894218) is 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The canonical SMILES for 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid is Cc1cc(-c2ccccn2)nc(C(C)CC(=O)O)n1.
What is the InChIKey of 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
The InChIKey is DCRXTQFYDYTAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(7-13(18)19)14-16-10(2)8-12(17-14)11-5-3-4-6-15-11/h3-6,8-9H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid?
3-(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 3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 116894218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).