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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762268
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762337
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83211082
2-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 113454327
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 106847559
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763018
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82764126
2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209392
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763318
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790306

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).