4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine

C17H19Cl4N5 — CID 118250285

IUPAC4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCCC1CCNc1nc(-c2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C17H19Cl4N5/c1-26-10-2-3-13(26)8-9-22-16-24-14(11-4-6-12(18)7-5-11)23-15(25-16)17(19,20)21/h4-7,13H,2-3,8-10H2,1H3,(H,22,23,24,25)
InChIKeyVSAXCWABVZSEGV-UHFFFAOYSA-N
MW435.19 g/mol
LogP4.91
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine

4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 118250285) has the molecular formula C17H19Cl4N5 and a molecular weight of 435.19 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID118250285
Molecular FormulaC17H19Cl4N5
Molecular Weight435.19 g/mol
Exact Mass433.04
IUPAC Name4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCCC1CCNc1nc(-c2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C17H19Cl4N5/c1-26-10-2-3-13(26)8-9-22-16-24-14(11-4-6-12(18)7-5-11)23-15(25-16)17(19,20)21/h4-7,13H,2-3,8-10H2,1H3,(H,22,23,24,25)
InChIKeyVSAXCWABVZSEGV-UHFFFAOYSA-N
XLogP4.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-phenyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472538
4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)pyrimidin-2-amine
CID 558705
4-[(2-methoxyphenyl)methyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 134261301
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(trichloromethyl)pyrimidin-2-amine
CID 558432
4-(4-phenylphenyl)-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250229
4-phenyl-N-(2-pyrrolidin-1-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472537
4-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250342
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 56919082
N-[3-(azepan-1-yl)-2,2-dimethylpropyl]-4-(4-tert-butylphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 121312133
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 118250285) is 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine is CN1CCCC1CCNc1nc(-c2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is VSAXCWABVZSEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl4N5/c1-26-10-2-3-13(26)8-9-22-16-24-14(11-4-6-12(18)7-5-11)23-15(25-16)17(19,20)21/h4-7,13H,2-3,8-10H2,1H3,(H,22,23,24,25).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 435.19 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118250285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).