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

C13H15F3N6O — CID 126887260

IUPACN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(Nc3ccncn3)CC2)o1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)12-21-20-11(23-12)7-22-5-2-9(3-6-22)19-10-1-4-17-8-18-10/h1,4,8-9H,2-3,5-7H2,(H,17,18,19)
InChIKeyMSFBMZUDYSUYBK-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.95
Rot. Bonds4

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

N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887260) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887260
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC NameN-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(Nc3ccncn3)CC2)o1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)12-21-20-11(23-12)7-22-5-2-9(3-6-22)19-10-1-4-17-8-18-10/h1,4,8-9H,2-3,5-7H2,(H,17,18,19)
InChIKeyMSFBMZUDYSUYBK-UHFFFAOYSA-N
XLogP1.95
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887260) is N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is FC(F)(F)c1nnc(CN2CCC(Nc3ccncn3)CC2)o1.
What is the InChIKey of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MSFBMZUDYSUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c14-13(15,16)12-21-20-11(23-12)7-22-5-2-9(3-6-22)19-10-1-4-17-8-18-10/h1,4,8-9H,2-3,5-7H2,(H,17,18,19).
What are the key properties of N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 328.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).