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

C13H13N3O2 — CID 116894124

IUPAC3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(-c2ccncc2)nc(CCC(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-9-8-11(10-4-6-14-7-5-10)16-12(15-9)2-3-13(17)18/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyXRKITXSFCMIOPG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.86
Rot. Bonds4

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

3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid (PubChem CID 116894124) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid
PubChem CID116894124
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid
SMILESCc1cc(-c2ccncc2)nc(CCC(=O)O)n1
InChIInChI=1S/C13H13N3O2/c1-9-8-11(10-4-6-14-7-5-10)16-12(15-9)2-3-13(17)18/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyXRKITXSFCMIOPG-UHFFFAOYSA-N
XLogP1.86
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butanoic acid
CID 116894139
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
4-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]butanoic acid
CID 116894140
4-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-2-one
CID 116895472
3-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxypropanoic acid
CID 94075244
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 116892926
3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]propanoic acid
CID 82479922

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid (CID 116894124) is 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid is Cc1cc(-c2ccncc2)nc(CCC(=O)O)n1.
What is the InChIKey of 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
The InChIKey is XRKITXSFCMIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-8-11(10-4-6-14-7-5-10)16-12(15-9)2-3-13(17)18/h4-8H,2-3H2,1H3,(H,17,18).
What are the key properties of 3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid?
3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.86, 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-4-ylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 116894124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).