4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C12H16F4N4 — CID 155974017

IUPAC4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(CC(F)(F)F)CC2)c1F
InChIInChI=1S/C12H16F4N4/c1-2-9-10(13)11(18-8-17-9)20-5-3-19(4-6-20)7-12(14,15)16/h8H,2-7H2,1H3
InChIKeyLYKPCURBQOBJSH-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.86
Rot. Bonds3

About 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 155974017) has the molecular formula C12H16F4N4 and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID155974017
Molecular FormulaC12H16F4N4
Molecular Weight292.28 g/mol
Exact Mass292.13
IUPAC Name4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCN(CC(F)(F)F)CC2)c1F
InChIInChI=1S/C12H16F4N4/c1-2-9-10(13)11(18-8-17-9)20-5-3-19(4-6-20)7-12(14,15)16/h8H,2-7H2,1H3
InChIKeyLYKPCURBQOBJSH-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 155974017) is 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is CCc1ncnc(N2CCN(CC(F)(F)F)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is LYKPCURBQOBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N4/c1-2-9-10(13)11(18-8-17-9)20-5-3-19(4-6-20)7-12(14,15)16/h8H,2-7H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 292.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155974017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).