3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid

C14H21N3O2 — CID 116894130

IUPAC3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
SMILESCc1cc(C2CCN(C)CC2)nc(CCC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10-9-12(11-5-7-17(2)8-6-11)16-13(15-10)3-4-14(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyVHBZVGXTRYEHHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

About 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid

3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid (PubChem CID 116894130) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
PubChem CID116894130
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
SMILESCc1cc(C2CCN(C)CC2)nc(CCC(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-10-9-12(11-5-7-17(2)8-6-11)16-13(15-10)3-4-14(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyVHBZVGXTRYEHHY-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
CID 116895150
4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
3-[5-(1-methylpiperidin-4-yl)pyrazin-2-yl]propanoic acid
CID 73439559
3-[6-(1-acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 66509805
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
CID 116896890
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)propanoic acid
CID 116894124
1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
CID 116895403
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
CID 116895464

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid (CID 116894130) is 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid is Cc1cc(C2CCN(C)CC2)nc(CCC(=O)O)n1.
What is the InChIKey of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid?
The InChIKey is VHBZVGXTRYEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-12(11-5-7-17(2)8-6-11)16-13(15-10)3-4-14(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid?
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.61, 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-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 116894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).