2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C9H18N6O2 — CID 19960736

IUPAC2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(NOC)n1
InChIInChI=1S/C9H18N6O2/c1-4-5-6-17-15(2)9-12-7(10)11-8(13-9)14-16-3/h4-6H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyOZWQVWMYUDILTA-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.60
Rot. Bonds7

About 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 19960736) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID19960736
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(NOC)n1
InChIInChI=1S/C9H18N6O2/c1-4-5-6-17-15(2)9-12-7(10)11-8(13-9)14-16-3/h4-6H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyOZWQVWMYUDILTA-UHFFFAOYSA-N
XLogP0.60
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
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'}

Analyze 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

N~2~,N~2~-diethyl-N~4~-propoxy-1,3,5-triazine-2,4,6-triamine
CID 4401790
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
N-butoxy-1,3,5-triazin-2-amine
CID 17764876
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,4-N,6-N-pentabutoxy-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695054
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
[(4,6-Diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
CID 18961466

Frequently Asked Questions

What is the IUPAC name of 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 19960736) is 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCON(C)c1nc(N)nc(NOC)n1.
What is the InChIKey of 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OZWQVWMYUDILTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-4-5-6-17-15(2)9-12-7(10)11-8(13-9)14-16-3/h4-6H2,1-3H3,(H3,10,11,12,13,14).
What are the key properties of 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19960736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).