6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C15H11ClF3N5O — CID 4644421

IUPAC6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C15H11ClF3N5O/c16-12-22-13(20-8-11-5-2-6-25-11)24-14(23-12)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyXKTXQWDKYHVSOI-UHFFFAOYSA-N
MW369.73 g/mol
LogP4.49
Rot. Bonds5

About 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 4644421) has the molecular formula C15H11ClF3N5O and a molecular weight of 369.73 g/mol. Its IUPAC name is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID4644421
Molecular FormulaC15H11ClF3N5O
Molecular Weight369.73 g/mol
Exact Mass369.06
IUPAC Name6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C15H11ClF3N5O/c16-12-22-13(20-8-11-5-2-6-25-11)24-14(23-12)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22,23,24)
InChIKeyXKTXQWDKYHVSOI-UHFFFAOYSA-N
XLogP4.49
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-((4-Chloro-6-((furan-2-ylmethyl)amino)-1,3,5-triazin-2-yl)amino)phenol
CID 556948
6-Chloro-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 694087
N-Furan-2-ylmethyl-N'-(4-isopropyl-phenyl)-6-morpholin-4-yl-[1,3,5]triazine-2,4-diamine
CID 647595
6-Ethoxy-N-(2-fluoro-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 3146878
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 790413
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 651460
6-Ethoxy-N-furan-2-ylmethyl-N'-(4-methoxy-phenyl)-[1,3,5]triazine-2,4-diamine
CID 650272
N~2~-(2-furylmethyl)-N~4~,N~6~-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4089891
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 1158965
N-(furan-2-ylmethyl)-1,4-dihydroquinazolin-2-amine;hydrochloride
CID 118730520
1-(2-Furylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2796409
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 4644421) is 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c1.
What is the InChIKey of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XKTXQWDKYHVSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O/c16-12-22-13(20-8-11-5-2-6-25-11)24-14(23-12)21-10-4-1-3-9(7-10)15(17,18)19/h1-7H,8H2,(H2,20,21,22,23,24).
What are the key properties of 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 369.73 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(furan-2-ylmethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4644421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).