2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine

C20H22N6O — CID 18206617

IUPAC2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CO/N=C/c2ccccc2C)n1
InChIInChI=1S/C20H22N6O/c1-3-15-9-6-7-11-17(15)23-20-25-18(24-19(21)26-20)13-27-22-12-16-10-5-4-8-14(16)2/h4-12H,3,13H2,1-2H3,(H3,21,23,24,25,26)/b22-12+
InChIKeyQRIAXDYPUBAVOM-WSDLNYQXSA-N
MW362.44 g/mol
LogP3.62
Rot. Bonds7

About 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine

2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 18206617) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine
PubChem CID18206617
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(N)nc(CO/N=C/c2ccccc2C)n1
InChIInChI=1S/C20H22N6O/c1-3-15-9-6-7-11-17(15)23-20-25-18(24-19(21)26-20)13-27-22-12-16-10-5-4-8-14(16)2/h4-12H,3,13H2,1-2H3,(H3,21,23,24,25,26)/b22-12+
InChIKeyQRIAXDYPUBAVOM-WSDLNYQXSA-N
XLogP3.62
TPSA98.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine (CID 18206617) is 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine is CCc1ccccc1Nc1nc(N)nc(CO/N=C/c2ccccc2C)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QRIAXDYPUBAVOM-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-15-9-6-7-11-17(15)23-20-25-18(24-19(21)26-20)13-27-22-12-16-10-5-4-8-14(16)2/h4-12H,3,13H2,1-2H3,(H3,21,23,24,25,26)/b22-12+.
What are the key properties of 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 362.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18206617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).