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

C14H17F3N6O2 — CID 126889863

IUPACN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1noc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C14H17F3N6O2/c1-24-7-12-21-13(25-22-12)23-4-2-9(3-5-23)20-11-6-10(14(15,16)17)18-8-19-11/h6,8-9H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyPPIUIMXJNLNVMM-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.11
Rot. Bonds5

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

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889863) has the molecular formula C14H17F3N6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889863
Molecular FormulaC14H17F3N6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC NameN-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCc1noc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C14H17F3N6O2/c1-24-7-12-21-13(25-22-12)23-4-2-9(3-5-23)20-11-6-10(14(15,16)17)18-8-19-11/h6,8-9H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyPPIUIMXJNLNVMM-UHFFFAOYSA-N
XLogP2.11
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889863) is N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is COCc1noc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PPIUIMXJNLNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2/c1-24-7-12-21-13(25-22-12)23-4-2-9(3-5-23)20-11-6-10(14(15,16)17)18-8-19-11/h6,8-9H,2-5,7H2,1H3,(H,18,19,20).
What are the key properties of N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 358.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).