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

C8H16N6O2 — CID 21183458

IUPAC2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCON(OCC(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(2)4-16-14(15-3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H4,9,10,11,12,13)
InChIKeyVZSHYNMIACZWJA-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.01
Rot. Bonds5

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

2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 21183458) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID21183458
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCON(OCC(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(2)4-16-14(15-3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H4,9,10,11,12,13)
InChIKeyVZSHYNMIACZWJA-UHFFFAOYSA-N
XLogP-0.01
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-methoxy-2-N,4-N-dimethyl-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
CID 142654905
2-N,2-N-dimethyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 106451415
2-N-[methoxy(2-methylpropoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 70477811
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981593
2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19095110
1,3,5-triazine-2,4,6-triamine;trimethoxymethane
CID 135335672
6-(3-methoxy-2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112681519
4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
CID 118167296
6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80810648
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80786405

Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine (CID 21183458) is 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine is CON(OCC(C)C)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VZSHYNMIACZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-5(2)4-16-14(15-3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H4,9,10,11,12,13).
What are the key properties of 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21183458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).