2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid

C14H21N3O3 — CID 66325327

IUPAC2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCOc1ncnc(N2CCCCC2CC(=O)O)c1C
InChIInChI=1S/C14H21N3O3/c1-3-20-14-10(2)13(15-9-16-14)17-7-5-4-6-11(17)8-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyCUTYHJYXKYVIFZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid

2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 66325327) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID66325327
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCOc1ncnc(N2CCCCC2CC(=O)O)c1C
InChIInChI=1S/C14H21N3O3/c1-3-20-14-10(2)13(15-9-16-14)17-7-5-4-6-11(17)8-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyCUTYHJYXKYVIFZ-UHFFFAOYSA-N
XLogP2.02
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-Ethoxypyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 66317888
2-[1-[(6-Ethoxypyrimidin-4-yl)-methylamino]cyclohexyl]acetic acid
CID 66317896
Methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
1-(6-Ethoxypyrimidin-4-yl)piperidine-2-carboxylic acid
CID 66318104
3-[1-(6-Ethoxypyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 66318110
3-[1-(6-Ethoxypyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 66318111
2-[1-(6-Ethoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66318556
2-[1-(6-Ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
CID 66318775
3-[1-(6-Methoxypyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 66319184
3-[1-(6-Ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 66319433
1-(6-Ethoxypyrimidin-4-yl)azepane-2-carboxylic acid
CID 66319439
Methyl 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66320365

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 66325327) is 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid is CCOc1ncnc(N2CCCCC2CC(=O)O)c1C.
What is the InChIKey of 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is CUTYHJYXKYVIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-14-10(2)13(15-9-16-14)17-7-5-4-6-11(17)8-12(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid?
2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 66325327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).