(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H11N5O2 — CID 102949609

IUPAC(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1cc(-c2noc([C@@H](C)N)n2)ncn1
InChIInChI=1S/C9H11N5O2/c1-5(10)9-13-8(14-16-9)6-3-7(15-2)12-4-11-6/h3-5H,10H2,1-2H3/t5-/m1/s1
InChIKeyRWCFZEARBZWGQY-RXMQYKEDSA-N
MW221.22 g/mol
LogP0.55
Rot. Bonds3

About (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 102949609) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID102949609
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1cc(-c2noc([C@@H](C)N)n2)ncn1
InChIInChI=1S/C9H11N5O2/c1-5(10)9-13-8(14-16-9)6-3-7(15-2)12-4-11-6/h3-5H,10H2,1-2H3/t5-/m1/s1
InChIKeyRWCFZEARBZWGQY-RXMQYKEDSA-N
XLogP0.55
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102949555
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527807
(1S)-3-amino-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837416
3-(6-methoxypyrimidin-4-yl)-5-(2-methyl-1-phenylpropyl)-1,2,4-oxadiazole
CID 166235890
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473668
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949607
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 102949609) is (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COc1cc(-c2noc([C@@H](C)N)n2)ncn1.
What is the InChIKey of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is RWCFZEARBZWGQY-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5(10)9-13-8(14-16-9)6-3-7(15-2)12-4-11-6/h3-5H,10H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.22 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 102949609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).