2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

C15H22F3N5 — CID 133292848

IUPAC2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCCN1CCN(C2CCN(c3nccc(C(F)(F)F)n3)C2)CC1
InChIInChI=1S/C15H22F3N5/c1-2-21-7-9-22(10-8-21)12-4-6-23(11-12)14-19-5-3-13(20-14)15(16,17)18/h3,5,12H,2,4,6-11H2,1H3
InChIKeyMVBLBWFUFGQXKV-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.71
Rot. Bonds3

About 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 133292848) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID133292848
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCCN1CCN(C2CCN(c3nccc(C(F)(F)F)n3)C2)CC1
InChIInChI=1S/C15H22F3N5/c1-2-21-7-9-22(10-8-21)12-4-6-23(11-12)14-19-5-3-13(20-14)15(16,17)18/h3,5,12H,2,4,6-11H2,1H3
InChIKeyMVBLBWFUFGQXKV-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 143256089
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
2-(4-ethylpiperazin-1-yl)-4-(trichloromethyl)pyrimidine
CID 70394813
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 60725743
2-ethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3,4-thiadiazole
CID 163343747
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 51104267

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 133292848) is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is CCN1CCN(C2CCN(c3nccc(C(F)(F)F)n3)C2)CC1.
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is MVBLBWFUFGQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5/c1-2-21-7-9-22(10-8-21)12-4-6-23(11-12)14-19-5-3-13(20-14)15(16,17)18/h3,5,12H,2,4,6-11H2,1H3.
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 329.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133292848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).