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

C16H19F3N6O — CID 126890113

IUPACN-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(N(c3ccncn3)C3CC3)CC2)o1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)15-23-22-14(26-15)9-24-7-4-12(5-8-24)25(11-1-2-11)13-3-6-20-10-21-13/h3,6,10-12H,1-2,4-5,7-9H2
InChIKeyJWALAUSKUCTBBQ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.51
Rot. Bonds5

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

N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890113) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890113
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nnc(CN2CCC(N(c3ccncn3)C3CC3)CC2)o1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)15-23-22-14(26-15)9-24-7-4-12(5-8-24)25(11-1-2-11)13-3-6-20-10-21-13/h3,6,10-12H,1-2,4-5,7-9H2
InChIKeyJWALAUSKUCTBBQ-UHFFFAOYSA-N
XLogP2.51
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126890113) is N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is FC(F)(F)c1nnc(CN2CCC(N(c3ccncn3)C3CC3)CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is JWALAUSKUCTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)15-23-22-14(26-15)9-24-7-4-12(5-8-24)25(11-1-2-11)13-3-6-20-10-21-13/h3,6,10-12H,1-2,4-5,7-9H2.
What are the key properties of N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 368.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).