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

C8H16N6O2 — CID 57010704

IUPAC2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-3-4-5-16-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyPVVJOVFHMZAGSD-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.14
Rot. Bonds6

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

2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 57010704) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID57010704
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-3-4-5-16-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyPVVJOVFHMZAGSD-UHFFFAOYSA-N
XLogP0.14
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.14
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'}

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Related Compounds

4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
2-N,2-N,4-N,4-N,6-N,6-N-hexaethoxy-1,3,5-triazine-2,4,6-triamine
CID 18369697
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
2-N-butoxy-1,3,5-triazine-2,4,6-triamine
CID 19364611
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

Frequently Asked Questions

What is the IUPAC name of 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (CID 57010704) is 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is CCCCON(OC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PVVJOVFHMZAGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-3-4-5-16-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of 0.14, 6 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-methoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57010704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).