1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid

C14H21N3O3 — CID 66333107

IUPAC1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOc1cc(N2CCCC(C)(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-11(15-10(2)16-12)17-7-5-6-14(3,9-17)13(18)19/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyAZISVUAWFOCMLJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid

1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 66333107) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID66333107
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOc1cc(N2CCCC(C)(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-11(15-10(2)16-12)17-7-5-6-14(3,9-17)13(18)19/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyAZISVUAWFOCMLJ-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
2-[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66333920
1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-4-amine
CID 66332707
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide
CID 138049196
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136027

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid (CID 66333107) is 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid is CCOc1cc(N2CCCC(C)(C(=O)O)C2)nc(C)n1.
What is the InChIKey of 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is AZISVUAWFOCMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-8-11(15-10(2)16-12)17-7-5-6-14(3,9-17)13(18)19/h8H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid?
1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 66333107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).