2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C13H26N6O4 — CID 22944845

IUPAC2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N(C)C)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O4/c1-17(2)11-14-12(18(7-20-3)8-21-4)16-13(15-11)19(9-22-5)10-23-6/h7-10H2,1-6H3
InChIKeyRRCPBPAZAZUWFH-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.03
Rot. Bonds11

About 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 22944845) has the molecular formula C13H26N6O4 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID22944845
Molecular FormulaC13H26N6O4
Molecular Weight330.39 g/mol
Exact Mass330.20
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N(C)C)nc(N(COC)COC)n1
InChIInChI=1S/C13H26N6O4/c1-17(2)11-14-12(18(7-20-3)8-21-4)16-13(15-11)19(9-22-5)10-23-6/h7-10H2,1-6H3
InChIKeyRRCPBPAZAZUWFH-UHFFFAOYSA-N
XLogP-0.03
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 22944845) is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is COCN(COC)c1nc(N(C)C)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RRCPBPAZAZUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O4/c1-17(2)11-14-12(18(7-20-3)8-21-4)16-13(15-11)19(9-22-5)10-23-6/h7-10H2,1-6H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 330.39 g/mol, XLogP of -0.03, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22944845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).