2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C14H16F4N6O — CID 146079116

IUPAC2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCc1ncnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1F
InChIInChI=1S/C14H16F4N6O/c1-2-9-11(15)12(20-8-19-9)24-5-3-23(4-6-24)7-10-21-22-13(25-10)14(16,17)18/h8H,2-7H2,1H3
InChIKeyXSDZDUDJCMBXFE-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.90
Rot. Bonds4

About 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 146079116) has the molecular formula C14H16F4N6O and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID146079116
Molecular FormulaC14H16F4N6O
Molecular Weight360.32 g/mol
Exact Mass360.13
IUPAC Name2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCc1ncnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1F
InChIInChI=1S/C14H16F4N6O/c1-2-9-11(15)12(20-8-19-9)24-5-3-23(4-6-24)7-10-21-22-13(25-10)14(16,17)18/h8H,2-7H2,1H3
InChIKeyXSDZDUDJCMBXFE-UHFFFAOYSA-N
XLogP1.90
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56869781
4-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 121545598
(3R)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 124729057
(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 124729058
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N,6-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126889360
N-cyclopropyl-6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890543
4-(6-Ethyl-5-fluoropyrimidin-4-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 128101819
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
CID 128998040
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
CID 128998129
(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
CID 129334220
(3R,4S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[ethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrrolidin-3-ol
CID 129334221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 146079116) is 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is CCc1ncnc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)c1F.
What is the InChIKey of 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is XSDZDUDJCMBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N6O/c1-2-9-11(15)12(20-8-19-9)24-5-3-23(4-6-24)7-10-21-22-13(25-10)14(16,17)18/h8H,2-7H2,1H3.
What are the key properties of 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 360.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 146079116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).