2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C13H17N5O — CID 83214399

IUPAC2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCC1(c2nc(-c3ccncn3)no2)CCCCC1N
InChIInChI=1S/C13H17N5O/c1-13(6-3-2-4-10(13)14)12-17-11(18-19-12)9-5-7-15-8-16-9/h5,7-8,10H,2-4,6,14H2,1H3
InChIKeyJVNGZEASKOALCD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 83214399) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID83214399
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCC1(c2nc(-c3ccncn3)no2)CCCCC1N
InChIInChI=1S/C13H17N5O/c1-13(6-3-2-4-10(13)14)12-17-11(18-19-12)9-5-7-15-8-16-9/h5,7-8,10H,2-4,6,14H2,1H3
InChIKeyJVNGZEASKOALCD-UHFFFAOYSA-N
XLogP1.69
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 83214399) is 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is CC1(c2nc(-c3ccncn3)no2)CCCCC1N.
What is the InChIKey of 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is JVNGZEASKOALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(6-3-2-4-10(13)14)12-17-11(18-19-12)9-5-7-15-8-16-9/h5,7-8,10H,2-4,6,14H2,1H3.
What are the key properties of 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 83214399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).