2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine

C9H18N6O2 — CID 11459155

IUPAC2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(OC)c1nc(N)nc(N(CC)OC)n1
InChIInChI=1S/C9H18N6O2/c1-5-14(16-3)8-11-7(10)12-9(13-8)15(6-2)17-4/h5-6H2,1-4H3,(H2,10,11,12,13)
InChIKeyJPKFADOGTNYSHZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.23
Rot. Bonds6

About 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine

2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11459155) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11459155
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(OC)c1nc(N)nc(N(CC)OC)n1
InChIInChI=1S/C9H18N6O2/c1-5-14(16-3)8-11-7(10)12-9(13-8)15(6-2)17-4/h5-6H2,1-4H3,(H2,10,11,12,13)
InChIKeyJPKFADOGTNYSHZ-UHFFFAOYSA-N
XLogP0.23
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine (CID 11459155) is 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is CCN(OC)c1nc(N)nc(N(CC)OC)n1.
What is the InChIKey of 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JPKFADOGTNYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-5-14(16-3)8-11-7(10)12-9(13-8)15(6-2)17-4/h5-6H2,1-4H3,(H2,10,11,12,13).
What are the key properties of 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11459155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).