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

C12H17N5O2 — CID 102949718

IUPAC(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCOc1cc(-c2noc([C@H](N)CC(C)C)n2)ncn1
InChIInChI=1S/C12H17N5O2/c1-7(2)4-8(13)12-16-11(17-19-12)9-5-10(18-3)15-6-14-9/h5-8H,4,13H2,1-3H3/t8-/m1/s1
InChIKeyJSFOQZACSUNXQM-MRVPVSSYSA-N
MW263.30 g/mol
LogP1.58
Rot. Bonds5

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

(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 102949718) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID102949718
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCOc1cc(-c2noc([C@H](N)CC(C)C)n2)ncn1
InChIInChI=1S/C12H17N5O2/c1-7(2)4-8(13)12-16-11(17-19-12)9-5-10(18-3)15-6-14-9/h5-8H,4,13H2,1-3H3/t8-/m1/s1
InChIKeyJSFOQZACSUNXQM-MRVPVSSYSA-N
XLogP1.58
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.58
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]ethanamine
CID 102949609
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102949555
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-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473668
3-(6-methoxypyrimidin-4-yl)-5-(2-methyl-1-phenylpropyl)-1,2,4-oxadiazole
CID 166235890
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82626741

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 102949718) is (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is COc1cc(-c2noc([C@H](N)CC(C)C)n2)ncn1.
What is the InChIKey of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is JSFOQZACSUNXQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(2)4-8(13)12-16-11(17-19-12)9-5-10(18-3)15-6-14-9/h5-8H,4,13H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 1.58, 5 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]-3-methylbutan-1-amine is sourced from PubChem (CID 102949718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).