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

C20H25F3N6O2 — CID 126890933

IUPACN-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)16-9-17(25-12-24-16)29(14-1-2-14)15-3-6-28(7-4-15)10-18-26-27-19(31-18)13-5-8-30-11-13/h9,12-15H,1-8,10-11H2
InChIKeyCAWLNVPQXAHDID-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.02
Rot. Bonds6

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

N-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890933) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-cyclopropyl-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-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890933
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC NameN-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CC2)C2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1
InChIInChI=1S/C20H25F3N6O2/c21-20(22,23)16-9-17(25-12-24-16)29(14-1-2-14)15-3-6-28(7-4-15)10-18-26-27-19(31-18)13-5-8-30-11-13/h9,12-15H,1-8,10-11H2
InChIKeyCAWLNVPQXAHDID-UHFFFAOYSA-N
XLogP3.02
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

N,6-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126889360
N-(1-{[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889761
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-cyclopropyl-6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890543
N-cyclopropyl-N-(1-{[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890930
N-cyclopropyl-N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
N-cyclopropyl-N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
2-Methyl-4-(4-{[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 155974745
4-[4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 163343496
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine
CID 171995728
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 172007850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890933) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(N(C2CC2)C2CCN(Cc3nnc(C4CCOC4)o3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CAWLNVPQXAHDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c21-20(22,23)16-9-17(25-12-24-16)29(14-1-2-14)15-3-6-28(7-4-15)10-18-26-27-19(31-18)13-5-8-30-11-13/h9,12-15H,1-8,10-11H2.
What are the key properties of N-cyclopropyl-N-[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-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 438.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-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 126890933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).