4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

C9H11F3N4 — CID 52987742

IUPAC4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCNCC2)ncn1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyQDKHOCPDMXKZCN-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.90
Rot. Bonds1

About 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 52987742) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID52987742
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCNCC2)ncn1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyQDKHOCPDMXKZCN-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
6-(Trifluoromethyl)pyrimidin-4-amine
CID 22385756
3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817034
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817045
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817193
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (CID 52987742) is 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCNCC2)ncn1.
What is the InChIKey of 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QDKHOCPDMXKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2.
What are the key properties of 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 232.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 52987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).