2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

C15H23F3N4O — CID 56863286

IUPAC2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCOCCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O/c1-2-23-12-11-21-7-9-22(10-8-21)14-19-6-4-13(20-14)3-5-15(16,17)18/h4,6H,2-3,5,7-12H2,1H3
InChIKeyRTCSQKQMCFLJHY-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.13
Rot. Bonds7

About 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine

2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56863286) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56863286
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCOCCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O/c1-2-23-12-11-21-7-9-22(10-8-21)14-19-6-4-13(20-14)3-5-15(16,17)18/h4,6H,2-3,5,7-12H2,1H3
InChIKeyRTCSQKQMCFLJHY-UHFFFAOYSA-N
XLogP2.13
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
2-methyl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53565323
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872320
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
2-Methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110254253
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
[4-(1,1-Difluoroethyl)pyrimidin-2-yl]methanol
CID 155943805
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56863286) is 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is CCOCCN1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is RTCSQKQMCFLJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-2-23-12-11-21-7-9-22(10-8-21)14-19-6-4-13(20-14)3-5-15(16,17)18/h4,6H,2-3,5,7-12H2,1H3.
What are the key properties of 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine?
2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 332.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56863286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).