4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine

C19H22N6O — CID 10154897

IUPAC4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)
InChIKeyPIUOACOVBKELNG-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.12
Rot. Bonds8

About 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine

4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10154897) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10154897
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)
InChIKeyPIUOACOVBKELNG-UHFFFAOYSA-N
XLogP3.12
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine (CID 10154897) is 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PIUOACOVBKELNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25).
What are the key properties of 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 350.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10154897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).