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

C9H18N6O2 — CID 19877060

IUPAC2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(COC)c1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-3-4-5-17-15(6-16-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyQVQHQGGIMVWOIT-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.18
Rot. Bonds7

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

2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19877060) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19877060
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(COC)c1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-3-4-5-17-15(6-16-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyQVQHQGGIMVWOIT-UHFFFAOYSA-N
XLogP0.18
TPSA112.41 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 ≤ 50.18
H-Bond Donors ≤ 52
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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Related Compounds

s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
2-Amino-4-butoxy-6-methylamino-s-triazine
CID 459155
N-Methoxy-N',N'-dimethyl-6-cyanomethyloxy-1,3,5-triazine-2,4-diamine
CID 606609
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

Frequently Asked Questions

What is the IUPAC name of 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19877060) is 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCCON(COC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QVQHQGGIMVWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-3-4-5-17-15(6-16-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19877060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).