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

C6H12N6O2 — CID 18695060

IUPAC2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)OC
InChIInChI=1S/C6H12N6O2/c1-13-6(14-2)12-5-10-3(7)9-4(8)11-5/h6H,1-2H3,(H5,7,8,9,10,11,12)
InChIKeyUQYWYFJGLYMBCC-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.98
Rot. Bonds4

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

2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18695060) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID18695060
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(Nc1nc(N)nc(N)n1)OC
InChIInChI=1S/C6H12N6O2/c1-13-6(14-2)12-5-10-3(7)9-4(8)11-5/h6H,1-2H3,(H5,7,8,9,10,11,12)
InChIKeyUQYWYFJGLYMBCC-UHFFFAOYSA-N
XLogP-0.98
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 18695060) is 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is COC(Nc1nc(N)nc(N)n1)OC.
What is the InChIKey of 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UQYWYFJGLYMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c1-13-6(14-2)12-5-10-3(7)9-4(8)11-5/h6H,1-2H3,(H5,7,8,9,10,11,12).
What are the key properties of 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 200.20 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(dimethoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18695060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).