N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H23F3N6O2 — CID 126889762

IUPACN-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H23F3N6O2/c19-18(20,21)14-9-15(23-11-22-14)24-13-1-5-27(6-2-13)10-16-25-26-17(29-16)12-3-7-28-8-4-12/h9,11-13H,1-8,10H2,(H,22,23,24)
InChIKeyOMAORAYZBADBFK-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.85
Rot. Bonds5

About N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889762) has the molecular formula C18H23F3N6O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889762
Molecular FormulaC18H23F3N6O2
Molecular Weight412.42 g/mol
Exact Mass412.18
IUPAC NameN-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H23F3N6O2/c19-18(20,21)14-9-15(23-11-22-14)24-13-1-5-27(6-2-13)10-16-25-26-17(29-16)12-3-7-28-8-4-12/h9,11-13H,1-8,10H2,(H,22,23,24)
InChIKeyOMAORAYZBADBFK-UHFFFAOYSA-N
XLogP2.85
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889762) is N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1.
What is the InChIKey of N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OMAORAYZBADBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2/c19-18(20,21)14-9-15(23-11-22-14)24-13-1-5-27(6-2-13)10-16-25-26-17(29-16)12-3-7-28-8-4-12/h9,11-13H,1-8,10H2,(H,22,23,24).
What are the key properties of N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 412.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).