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

C17H21F3N6O2 — CID 126889761

IUPACN-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O2/c18-17(19,20)13-7-14(22-10-21-13)23-12-1-4-26(5-2-12)8-15-24-25-16(28-15)11-3-6-27-9-11/h7,10-12H,1-6,8-9H2,(H,21,22,23)
InChIKeyJEQDJQAWTOPITG-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.46
Rot. Bonds5

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

N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889761) has the molecular formula C17H21F3N6O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889761
Molecular FormulaC17H21F3N6O2
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC NameN-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C17H21F3N6O2/c18-17(19,20)13-7-14(22-10-21-13)23-12-1-4-26(5-2-12)8-15-24-25-16(28-15)11-3-6-27-9-11/h7,10-12H,1-6,8-9H2,(H,21,22,23)
InChIKeyJEQDJQAWTOPITG-UHFFFAOYSA-N
XLogP2.46
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]amino]spiro[5H-pteridine-7,3'-oxolane]-6-one
CID 146194365
(7S)-4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]amino]spiro[5H-pteridine-7,3'-oxolane]-6-one
CID 146202587
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N-(1-{[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889757
N-(1-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889762
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-cyclopropyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890933
N-cyclopropyl-N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
2-Methyl-4-(4-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 155974745
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 172007850
6-methyl-N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887736

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889761) is N-[1-[[5-(oxolan-3-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-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1.
What is the InChIKey of N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JEQDJQAWTOPITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O2/c18-17(19,20)13-7-14(22-10-21-13)23-12-1-4-26(5-2-12)8-15-24-25-16(28-15)11-3-6-27-9-11/h7,10-12H,1-6,8-9H2,(H,21,22,23).
What are the key properties of N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 398.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).