2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine

C11H21N5O4 — CID 18364559

IUPAC2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1ncnc(N(COC)COC)n1
InChIInChI=1S/C11H21N5O4/c1-17-6-15(7-18-2)10-12-5-13-11(14-10)16(8-19-3)9-20-4/h5H,6-9H2,1-4H3
InChIKeyVKEABKJDYJOJAU-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.10
Rot. Bonds10

About 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 18364559) has the molecular formula C11H21N5O4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID18364559
Molecular FormulaC11H21N5O4
Molecular Weight287.32 g/mol
Exact Mass287.16
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1ncnc(N(COC)COC)n1
InChIInChI=1S/C11H21N5O4/c1-17-6-15(7-18-2)10-12-5-13-11(14-10)16(8-19-3)9-20-4/h5H,6-9H2,1-4H3
InChIKeyVKEABKJDYJOJAU-UHFFFAOYSA-N
XLogP-0.10
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 18364559) is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCN(COC)c1ncnc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VKEABKJDYJOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O4/c1-17-6-15(7-18-2)10-12-5-13-11(14-10)16(8-19-3)9-20-4/h5H,6-9H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.32 g/mol, XLogP of -0.10, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).