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

C9H18N6O2 — CID 67569071

IUPAC2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(OC)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-3-4-6(16-2)17-5-12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H5,10,11,12,13,14,15)
InChIKeyIJFVCDFOCMHOTN-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.19
Rot. Bonds7

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

2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 67569071) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID67569071
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(OC)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-3-4-6(16-2)17-5-12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H5,10,11,12,13,14,15)
InChIKeyIJFVCDFOCMHOTN-UHFFFAOYSA-N
XLogP0.19
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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
2-N-(diethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20074279
2-N-(triethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20074280
6-N-(dimethoxymethyl)-2-N,2-N,4-N,4-N-tetraethoxy-1,3,5-triazine-2,4,6-triamine
CID 20355213
6-N-(dibutoxymethyl)-2-N,2-N,4-N,4-N-tetramethoxy-1,3,5-triazine-2,4,6-triamine
CID 21439687
6-butoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 21501845
2-N-[ethoxy(methoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 21617769
N~2~-(Butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 21871889
2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 22904190
2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 23212933

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 67569071) is 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCC(OC)OCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IJFVCDFOCMHOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-3-4-6(16-2)17-5-12-9-14-7(10)13-8(11)15-9/h6H,3-5H2,1-2H3,(H5,10,11,12,13,14,15).
What are the key properties of 2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.28 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-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67569071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).