4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C13H12F4N6 — CID 126851346

IUPAC4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFc1cnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc1
InChIInChI=1S/C13H12F4N6/c14-9-6-18-12(19-7-9)23-3-1-22(2-4-23)11-5-10(13(15,16)17)20-8-21-11/h5-8H,1-4H2
InChIKeyFSYBYQCDLDHFQD-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.75
Rot. Bonds2

About 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 126851346) has the molecular formula C13H12F4N6 and a molecular weight of 328.27 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID126851346
Molecular FormulaC13H12F4N6
Molecular Weight328.27 g/mol
Exact Mass328.11
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESFc1cnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc1
InChIInChI=1S/C13H12F4N6/c14-9-6-18-12(19-7-9)23-3-1-22(2-4-23)11-5-10(13(15,16)17)20-8-21-11/h5-8H,1-4H2
InChIKeyFSYBYQCDLDHFQD-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-5-chloropyrimidine
CID 139027065
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-tert-butylpyrimidine
CID 139027092
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
(2-chloro-4-fluorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892338
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163345548
(4-chlorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892346
2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
CID 141162301

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 126851346) is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is Fc1cnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is FSYBYQCDLDHFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N6/c14-9-6-18-12(19-7-9)23-3-1-22(2-4-23)11-5-10(13(15,16)17)20-8-21-11/h5-8H,1-4H2.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 328.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126851346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).