2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C20H18ClFN6O — CID 134156399

IUPAC2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H17FN6O.ClH/c21-14-8-10-16(11-9-14)24-20-26-18(22-13-17-7-4-12-28-17)25-19(27-20)23-15-5-2-1-3-6-15;/h1-12H,13H2,(H3,22,23,24,25,26,27);1H
InChIKeyNUQUVMFNFIWMHE-UHFFFAOYSA-N
MW412.86 g/mol
LogP5.12
Rot. Bonds7

About 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 134156399) has the molecular formula C20H18ClFN6O and a molecular weight of 412.86 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID134156399
Molecular FormulaC20H18ClFN6O
Molecular Weight412.86 g/mol
Exact Mass412.12
IUPAC Name2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H17FN6O.ClH/c21-14-8-10-16(11-9-14)24-20-26-18(22-13-17-7-4-12-28-17)25-19(27-20)23-15-5-2-1-3-6-15;/h1-12H,13H2,(H3,22,23,24,25,26,27);1H
InChIKeyNUQUVMFNFIWMHE-UHFFFAOYSA-N
XLogP5.12
TPSA87.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.86
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride 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
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
6-Chloro-N-(2,4-dimethoxy-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 1095341
N2-(furan-2-ylmethyl)-N4-(4-methoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 1158981
6-Ethoxy-N-(2-fluoro-phenyl)-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 3146878
6-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-N-(furan-2-ylmethyl)-N'-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 9566664
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
6-chloro-N-(furan-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 4644421

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 134156399) is 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is Cl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is NUQUVMFNFIWMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O.ClH/c21-14-8-10-16(11-9-14)24-20-26-18(22-13-17-7-4-12-28-17)25-19(27-20)23-15-5-2-1-3-6-15;/h1-12H,13H2,(H3,22,23,24,25,26,27);1H.
What are the key properties of 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 412.86 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 134156399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).