6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C16H16FN5O2 — CID 3146878

IUPAC6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O2/c1-2-23-16-21-14(18-10-11-6-5-9-24-11)20-15(22-16)19-13-8-4-3-7-12(13)17/h3-9H,2,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyXJYAQPGVMLXILO-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.36
Rot. Bonds7

About 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3146878) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID3146878
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccco2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C16H16FN5O2/c1-2-23-16-21-14(18-10-11-6-5-9-24-11)20-15(22-16)19-13-8-4-3-7-12(13)17/h3-9H,2,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyXJYAQPGVMLXILO-UHFFFAOYSA-N
XLogP3.36
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-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
N-Allyl-6-ethoxy-N'-furan-2-ylmethyl-[1,3,5]triazine-2,4-diamine
CID 649892
N,N'-Bis-furan-2-ylmethyl-6-phenoxy-[1,3,5]triazine-2,4-diamine
CID 654770
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-furan-2-ylmethyl-N'-hexyl-[1,3,5]triazine-2,4-diamine
CID 3128957
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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 3146878) is 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccco2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XJYAQPGVMLXILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-2-23-16-21-14(18-10-11-6-5-9-24-11)20-15(22-16)19-13-8-4-3-7-12(13)17/h3-9H,2,10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).