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

C14H18F3N7O — CID 163349206

IUPACN-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1
InChIInChI=1S/C14H18F3N7O/c1-2-18-13-19-4-3-10(20-13)24-7-5-23(6-8-24)9-11-21-22-12(25-11)14(15,16)17/h3-4H,2,5-9H2,1H3,(H,18,19,20)
InChIKeyNAUQUXQGLYHKRJ-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.63
Rot. Bonds5

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

N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 163349206) has the molecular formula C14H18F3N7O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID163349206
Molecular FormulaC14H18F3N7O
Molecular Weight357.34 g/mol
Exact Mass357.15
IUPAC NameN-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1
InChIInChI=1S/C14H18F3N7O/c1-2-18-13-19-4-3-10(20-13)24-7-5-23(6-8-24)9-11-21-22-12(25-11)14(15,16)17/h3-4H,2,5-9H2,1H3,(H,18,19,20)
InChIKeyNAUQUXQGLYHKRJ-UHFFFAOYSA-N
XLogP1.63
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine (CID 163349206) is N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine is CCNc1nccc(N2CCN(Cc3nnc(C(F)(F)F)o3)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is NAUQUXQGLYHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7O/c1-2-18-13-19-4-3-10(20-13)24-7-5-23(6-8-24)9-11-21-22-12(25-11)14(15,16)17/h3-4H,2,5-9H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 357.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 163349206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).