4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine

C17H21ClF3N5O — CID 170394610

IUPAC4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OCC(C)(F)C(F)F)n1
InChIInChI=1S/C17H21ClF3N5O/c1-4-26(5-2)15-23-14(22-12-8-6-7-11(18)9-12)24-16(25-15)27-10-17(3,21)13(19)20/h6-9,13H,4-5,10H2,1-3H3,(H,22,23,24,25)
InChIKeyLEPURKWNCPVTAE-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.49
Rot. Bonds9

About 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine

4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 170394610) has the molecular formula C17H21ClF3N5O and a molecular weight of 403.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID170394610
Molecular FormulaC17H21ClF3N5O
Molecular Weight403.84 g/mol
Exact Mass403.14
IUPAC Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OCC(C)(F)C(F)F)n1
InChIInChI=1S/C17H21ClF3N5O/c1-4-26(5-2)15-23-14(22-12-8-6-7-11(18)9-12)24-16(25-15)27-10-17(3,21)13(19)20/h6-9,13H,4-5,10H2,1-3H3,(H,22,23,24,25)
InChIKeyLEPURKWNCPVTAE-UHFFFAOYSA-N
XLogP4.49
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
N2-Methyl-N4-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285899
CID 129304813
CID 129304813
CID 129304815
CID 129304815
2-({4-[(4-Chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-YL}amino)ethan-1-OL
CID 5124090
N-allyl-N'-(4-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 5124088
2-({4-[(3-Chlorophenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648020

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine (CID 170394610) is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OCC(C)(F)C(F)F)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is LEPURKWNCPVTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N5O/c1-4-26(5-2)15-23-14(22-12-8-6-7-11(18)9-12)24-16(25-15)27-10-17(3,21)13(19)20/h6-9,13H,4-5,10H2,1-3H3,(H,22,23,24,25).
What are the key properties of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 403.84 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 170394610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).