4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C13H17N5O — CID 59931591

IUPAC4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-3-14-12-16-11(10-7-5-4-6-8-10)17-13(18-12)15-9-19-2/h4-8H,3,9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWQVBJWGWLIETAA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.99
Rot. Bonds6

About 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 59931591) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID59931591
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-3-14-12-16-11(10-7-5-4-6-8-10)17-13(18-12)15-9-19-2/h4-8H,3,9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWQVBJWGWLIETAA-UHFFFAOYSA-N
XLogP1.99
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 59931591) is 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCOC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WQVBJWGWLIETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-12-16-11(10-7-5-4-6-8-10)17-13(18-12)15-9-19-2/h4-8H,3,9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59931591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).