6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine

C14H20N6O2 — CID 142685951

IUPAC6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESCC(C)c1nc(N2CCC(Oc3cc(N)ncn3)CC2)no1
InChIInChI=1S/C14H20N6O2/c1-9(2)13-18-14(19-22-13)20-5-3-10(4-6-20)21-12-7-11(15)16-8-17-12/h7-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyZWGHVKNHOVWVHE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.61
Rot. Bonds4

About 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine

6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 142685951) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID142685951
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESCC(C)c1nc(N2CCC(Oc3cc(N)ncn3)CC2)no1
InChIInChI=1S/C14H20N6O2/c1-9(2)13-18-14(19-22-13)20-5-3-10(4-6-20)21-12-7-11(15)16-8-17-12/h7-10H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyZWGHVKNHOVWVHE-UHFFFAOYSA-N
XLogP1.61
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine (CID 142685951) is 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine is CC(C)c1nc(N2CCC(Oc3cc(N)ncn3)CC2)no1.
What is the InChIKey of 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is ZWGHVKNHOVWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-9(2)13-18-14(19-22-13)20-5-3-10(4-6-20)21-12-7-11(15)16-8-17-12/h7-10H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine?
6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 142685951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).