5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

C17H26N6O2 — CID 72877263

IUPAC5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1CCCC(c2nc(CCOC)no2)C1
InChIInChI=1S/C17H26N6O2/c1-4-13-11(2)19-17(18)21-15(13)23-8-5-6-12(10-23)16-20-14(22-25-16)7-9-24-3/h12H,4-10H2,1-3H3,(H2,18,19,21)
InChIKeyPQAYRFPQVWRPHZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.89
Rot. Bonds6

About 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 72877263) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID72877263
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1CCCC(c2nc(CCOC)no2)C1
InChIInChI=1S/C17H26N6O2/c1-4-13-11(2)19-17(18)21-15(13)23-8-5-6-12(10-23)16-20-14(22-25-16)7-9-24-3/h12H,4-10H2,1-3H3,(H2,18,19,21)
InChIKeyPQAYRFPQVWRPHZ-UHFFFAOYSA-N
XLogP1.89
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 72856081
5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 97435860
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753139
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95727245
3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70778696
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131948357
1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 124753151

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 72877263) is 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is CCc1c(C)nc(N)nc1N1CCCC(c2nc(CCOC)no2)C1.
What is the InChIKey of 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is PQAYRFPQVWRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-13-11(2)19-17(18)21-15(13)23-8-5-6-12(10-23)16-20-14(22-25-16)7-9-24-3/h12H,4-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 72877263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).