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

C17H21F3N6O — CID 126889759

IUPACN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)13-8-14(22-10-21-13)23-12-4-6-26(7-5-12)9-15-24-16(27-25-15)11-2-1-3-11/h8,10-12H,1-7,9H2,(H,21,22,23)
InChIKeyHOLNHHXXBMVGBZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.22
Rot. Bonds5

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

N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889759) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889759
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC NameN-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)13-8-14(22-10-21-13)23-12-4-6-26(7-5-12)9-15-24-16(27-25-15)11-2-1-3-11/h8,10-12H,1-7,9H2,(H,21,22,23)
InChIKeyHOLNHHXXBMVGBZ-UHFFFAOYSA-N
XLogP3.22
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
5-(2-Methylpropyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588219
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
CID 91892424
4-(5-Isobutyl-1,2,4-oxadiazol-3-yl)-2-piperazin-1-ylpyrimidine dihydrochloride
CID 45588218
5-Cyclopropyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588221
3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 165395327
3-(2-Piperazin-1-ylpyrimidin-4-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 45588223
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53584351
N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95303515
N-[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95303517
3-[1-(6-Methylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 95826866
N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
CID 122245570

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889759) is N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(Cc3noc(C4CCC4)n3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HOLNHHXXBMVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c18-17(19,20)13-8-14(22-10-21-13)23-12-4-6-26(7-5-12)9-15-24-16(27-25-15)11-2-1-3-11/h8,10-12H,1-7,9H2,(H,21,22,23).
What are the key properties of N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).