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

C13H17N5O — CID 61289970

IUPAC3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C13H17N5O/c1-9-4-2-5-13(14,8-9)12-17-11(18-19-12)10-15-6-3-7-16-10/h3,6-7,9H,2,4-5,8,14H2,1H3
InChIKeyQZONSZOBHAMUEL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds2

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

3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 61289970) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID61289970
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C13H17N5O/c1-9-4-2-5-13(14,8-9)12-17-11(18-19-12)10-15-6-3-7-16-10/h3,6-7,9H,2,4-5,8,14H2,1H3
InChIKeyQZONSZOBHAMUEL-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 61289970) is 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is CC1CCCC(N)(c2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is QZONSZOBHAMUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-2-5-13(14,8-9)12-17-11(18-19-12)10-15-6-3-7-16-10/h3,6-7,9H,2,4-5,8,14H2,1H3.
What are the key properties of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61289970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).