Chemical Properties of N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine

InChI

InChI=1S/C9H14ClN5O/c1-5(16)11-7-12-6(10)13-8(14-7)15-9(2,3)4/h1-4H3,(H2,11,12,13,14,15,16)

InChI Key

DYRSLXURNMQEOR-UHFFFAOYSA-N

Formula

C9H14ClN5O

SMILES

CC(=O)Nc1nc(Cl)nc(NC(C)(C)C)n1

Molecular Weight¹

243.69

Other Names

• 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1,1-dimethylethyl)-N'-acetyl-
• 6-Chloro-N-(2-methyl-2-propanyl)-N'-acetyl-1,3,5-triazine-2,4-diamine
• N-(4-Acetamino-6-chloro-1,3,5-triazin-2-yl)-N-(tert-butyl)amine
• 2-Acetamino-4-tert-butylamino-6-chloro-1,3,5-triazine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	1.694		Crippen Calculated Property
McVol	177.620	ml/mol	McGowan Calculated Property
Inp	[1898.00; 1898.00]
Inp	1898.00		NIST
Inp	1898.00		NIST

Similar Compounds

Find more compounds similar to N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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