N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine

C20H24N6O — CID 45193037

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESc1ccc(Cc2noc(CCNc3cc(C4CCNCC4)ncn3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-15(5-3-1)12-19-25-20(27-26-19)8-11-22-18-13-17(23-14-24-18)16-6-9-21-10-7-16/h1-5,13-14,16,21H,6-12H2,(H,22,23,24)
InChIKeyYNJYZOLWMIEXHV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45193037) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45193037
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESc1ccc(Cc2noc(CCNc3cc(C4CCNCC4)ncn3)n2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-15(5-3-1)12-19-25-20(27-26-19)8-11-22-18-13-17(23-14-24-18)16-6-9-21-10-7-16/h1-5,13-14,16,21H,6-12H2,(H,22,23,24)
InChIKeyYNJYZOLWMIEXHV-UHFFFAOYSA-N
XLogP2.57
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45193037) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine is c1ccc(Cc2noc(CCNc3cc(C4CCNCC4)ncn3)n2)cc1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is YNJYZOLWMIEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-4-15(5-3-1)12-19-25-20(27-26-19)8-11-22-18-13-17(23-14-24-18)16-6-9-21-10-7-16/h1-5,13-14,16,21H,6-12H2,(H,22,23,24).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45193037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).