3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid

C19H29N3O2 — CID 110256791

IUPAC3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid
SMILESCc1cc(CCC(=O)O)nc(C2CCCCN2C2CCCCC2)n1
InChIInChI=1S/C19H29N3O2/c1-14-13-15(10-11-18(23)24)21-19(20-14)17-9-5-6-12-22(17)16-7-3-2-4-8-16/h13,16-17H,2-12H2,1H3,(H,23,24)
InChIKeyXYGZGTDJIJYGCP-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.66
Rot. Bonds5

About 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid

3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid (PubChem CID 110256791) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid
PubChem CID110256791
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid
SMILESCc1cc(CCC(=O)O)nc(C2CCCCN2C2CCCCC2)n1
InChIInChI=1S/C19H29N3O2/c1-14-13-15(10-11-18(23)24)21-19(20-14)17-9-5-6-12-22(17)16-7-3-2-4-8-16/h13,16-17H,2-12H2,1H3,(H,23,24)
InChIKeyXYGZGTDJIJYGCP-UHFFFAOYSA-N
XLogP3.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-methyl-2-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256786
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
3-[6-methyl-2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 110258239
3-[6-methyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 125025999
3-[6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 175661809
3-[6-methyl-2-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 95826563
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
3-[2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]propanoic acid
CID 110090173
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
3-[2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 124947400
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid?
The IUPAC name of 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid (CID 110256791) is 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid is Cc1cc(CCC(=O)O)nc(C2CCCCN2C2CCCCC2)n1.
What is the InChIKey of 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid?
The InChIKey is XYGZGTDJIJYGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-13-15(10-11-18(23)24)21-19(20-14)17-9-5-6-12-22(17)16-7-3-2-4-8-16/h13,16-17H,2-12H2,1H3,(H,23,24).
What are the key properties of 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid?
3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid has a molecular weight of 331.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 110256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).