2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine

C18H18FN5O — CID 4785413

IUPAC2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O/c1-2-12-7-3-5-9-14(12)21-18-23-16(22-17(20)24-18)11-25-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyGLROSEPSAHSCEI-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.48
Rot. Bonds6

About 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 4785413) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID4785413
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(COc2ccccc2F)n1
InChIInChI=1S/C18H18FN5O/c1-2-12-7-3-5-9-14(12)21-18-23-16(22-17(20)24-18)11-25-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H3,20,21,22,23,24)
InChIKeyGLROSEPSAHSCEI-UHFFFAOYSA-N
XLogP3.48
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine (CID 4785413) is 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(COc2ccccc2F)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GLROSEPSAHSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-2-12-7-3-5-9-14(12)21-18-23-16(22-17(20)24-18)11-25-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 339.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).