5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine

C16H17F3N4 — CID 133405359

IUPAC5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C16H17F3N4/c1-12-10-20-15(21-11-12)23-8-6-22(7-9-23)14-4-2-13(3-5-14)16(17,18)19/h2-5,10-11H,6-9H2,1H3
InChIKeyRJGSJGIMEVLUHC-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.13
Rot. Bonds2

About 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine

5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine (PubChem CID 133405359) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
PubChem CID133405359
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C16H17F3N4/c1-12-10-20-15(21-11-12)23-8-6-22(7-9-23)14-4-2-13(3-5-14)16(17,18)19/h2-5,10-11H,6-9H2,1H3
InChIKeyRJGSJGIMEVLUHC-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 71080668
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
N-(5-methyl-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 163896529
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
CID 158998818
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine (CID 133405359) is 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine is Cc1cnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
The InChIKey is RJGSJGIMEVLUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-12-10-20-15(21-11-12)23-8-6-22(7-9-23)14-4-2-13(3-5-14)16(17,18)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine?
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133405359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).