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

C8H16N6O2 — CID 18947972

IUPAC2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(OC)ONc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-3-4-5(15-2)16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyLEERZLYLKCOEMN-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.15
Rot. Bonds6

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

2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 18947972) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID18947972
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(OC)ONc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-3-4-5(15-2)16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyLEERZLYLKCOEMN-UHFFFAOYSA-N
XLogP0.15
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19960736
2-N,2-N,4-N-tributoxy-4-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20312324
1-Butoxybutane;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 22641216
2-N-(ethoxymethoxy)-1,3,5-triazine-2,4,6-triamine
CID 22726343
2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 54143277
2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 57010704
2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 57251818
2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 57264119
Butoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 69017050

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (CID 18947972) is 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is CCCC(OC)ONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LEERZLYLKCOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-3-4-5(15-2)16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14).
What are the key properties of 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18947972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).