2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H13N5O2 — CID 106109335

IUPAC2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(-c2ccnc(C)n2)no1
InChIInChI=1S/C10H13N5O2/c1-6-12-4-3-7(13-6)9-14-10(17-15-9)8(5-11)16-2/h3-4,8H,5,11H2,1-2H3
InChIKeyIKZFVINEHPHHTE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.48
Rot. Bonds4

About 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106109335) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106109335
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(CN)c1nc(-c2ccnc(C)n2)no1
InChIInChI=1S/C10H13N5O2/c1-6-12-4-3-7(13-6)9-14-10(17-15-9)8(5-11)16-2/h3-4,8H,5,11H2,1-2H3
InChIKeyIKZFVINEHPHHTE-UHFFFAOYSA-N
XLogP0.48
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 115529371
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109412
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
2-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 115529262
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 115531396
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 115529105
[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 115531552
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 113329658
3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 115529364

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 106109335) is 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COC(CN)c1nc(-c2ccnc(C)n2)no1.
What is the InChIKey of 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IKZFVINEHPHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-12-4-3-7(13-6)9-14-10(17-15-9)8(5-11)16-2/h3-4,8H,5,11H2,1-2H3.
What are the key properties of 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 235.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106109335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).