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

C14H21N3O3 — CID 115972951

IUPAC2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESCCOc1cc(C)nc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-3-20-12-8-10(2)15-14(16-12)17-7-5-4-6-11(17)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyJOAMFUPIHRLMPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds5

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

2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid (PubChem CID 115972951) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
PubChem CID115972951
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
SMILESCCOc1cc(C)nc(N2CCCCC2CC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-3-20-12-8-10(2)15-14(16-12)17-7-5-4-6-11(17)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyJOAMFUPIHRLMPX-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-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635765
2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 83180688
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 112748216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid (CID 115972951) is 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid is CCOc1cc(C)nc(N2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is JOAMFUPIHRLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-12-8-10(2)15-14(16-12)17-7-5-4-6-11(17)9-13(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid?
2-[1-(4-ethoxy-6-methylpyrimidin-2-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-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 115972951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).