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

C6H12N6O — CID 11389781

IUPAC2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O/c1-3-12(13-2)6-10-4(7)9-5(8)11-6/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyZZLYBXYMOCPOQG-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.58
Rot. Bonds3

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

2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11389781) has the molecular formula C6H12N6O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11389781
Molecular FormulaC6H12N6O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C6H12N6O/c1-3-12(13-2)6-10-4(7)9-5(8)11-6/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyZZLYBXYMOCPOQG-UHFFFAOYSA-N
XLogP-0.58
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

Ena-001
CID 57340959
2-Amino-4-ethylamino-6-methoxy-s-triazine
CID 35107
6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 742829
N~2~,N~2~-diethyl-N~4~-propoxy-1,3,5-triazine-2,4,6-triamine
CID 4401790
N2,N2-Diethyl-N4,N6-dihydroxy-1,3,5-triazine-2,4,6-triamine
CID 13725134
N~2~,N~4~-Diethyl-N~6~-hydroxy-1,3,5-triazine-2,4,6-triamine
CID 13931064
6-chloro-2-N-(difluoromethoxy)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 150140435
2-Chloro-4-diethylamino-6-methoxyamino-sym-triazine
CID 12584289
2-Methoxy-4-methylamino-6-ethylamino-1,3,5-triazin
CID 80770839
2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11148548
2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11347064
2-N,4-N-diethyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11459155

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (CID 11389781) is 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is CCN(OC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZZLYBXYMOCPOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O/c1-3-12(13-2)6-10-4(7)9-5(8)11-6/h3H2,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 184.20 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11389781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).