4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

C12H21ClN4O3 — CID 104561349

IUPAC4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCCOCCOC)n1
InChIInChI=1S/C12H21ClN4O3/c1-4-17(5-2)11-14-10(13)15-12(16-11)20-9-8-19-7-6-18-3/h4-9H2,1-3H3
InChIKeyZEZHUYUIXVJHMK-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.41
Rot. Bonds10

About 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 104561349) has the molecular formula C12H21ClN4O3 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID104561349
Molecular FormulaC12H21ClN4O3
Molecular Weight304.78 g/mol
Exact Mass304.13
IUPAC Name4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCCOCCOC)n1
InChIInChI=1S/C12H21ClN4O3/c1-4-17(5-2)11-14-10(13)15-12(16-11)20-9-8-19-7-6-18-3/h4-9H2,1-3H3
InChIKeyZEZHUYUIXVJHMK-UHFFFAOYSA-N
XLogP1.41
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine (CID 104561349) is 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OCCOCCOC)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is ZEZHUYUIXVJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O3/c1-4-17(5-2)11-14-10(13)15-12(16-11)20-9-8-19-7-6-18-3/h4-9H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 304.78 g/mol, XLogP of 1.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 104561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).