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

C8H16N6O2 — CID 57264119

IUPAC2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCCCONc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-15-4-2-3-5-16-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H5,9,10,11,12,13,14)
InChIKeyUXXLMJIHIYUQAC-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.19
Rot. Bonds7

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

2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57264119) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID57264119
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCCCONc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-15-4-2-3-5-16-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H5,9,10,11,12,13,14)
InChIKeyUXXLMJIHIYUQAC-UHFFFAOYSA-N
XLogP-0.19
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diamino-6-butoxy-s-triazine
CID 32856
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695052
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695062
1-Butoxybutane;1,3,5-triazine-2,4,6-triamine
CID 18927919
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 18947972
2-N-butoxy-1,3,5-triazine-2,4,6-triamine
CID 19364611

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (CID 57264119) is 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is COCCCCONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UXXLMJIHIYUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-15-4-2-3-5-16-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H5,9,10,11,12,13,14).
What are the key properties of 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57264119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).