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

C6H12N6O2 — CID 22726343

IUPAC2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCONc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O2/c1-2-13-3-14-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H5,7,8,9,10,11,12)
InChIKeyXGRFYUIGBVVAEP-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.63
Rot. Bonds5

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

2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 22726343) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID22726343
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCONc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O2/c1-2-13-3-14-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H5,7,8,9,10,11,12)
InChIKeyXGRFYUIGBVVAEP-UHFFFAOYSA-N
XLogP-0.63
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine (CID 22726343) is 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine is CCOCONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XGRFYUIGBVVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O2/c1-2-13-3-14-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H5,7,8,9,10,11,12).
What are the key properties of 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 200.20 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22726343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).