4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine

C8H12Cl2N4 — CID 6430812

IUPAC4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N4/c1-4-8(2,3)14-7-12-5(9)11-6(10)13-7/h4H2,1-3H3,(H,11,12,13,14)
InChIKeyHIIWFTFAKHZRAW-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.78
Rot. Bonds3

About 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 6430812) has the molecular formula C8H12Cl2N4 and a molecular weight of 235.12 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
PubChem CID6430812
Molecular FormulaC8H12Cl2N4
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H12Cl2N4/c1-4-8(2,3)14-7-12-5(9)11-6(10)13-7/h4H2,1-3H3,(H,11,12,13,14)
InChIKeyHIIWFTFAKHZRAW-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Terbuthylazine
CID 22206
Desethylterbuthylazine
CID 108201
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1,1-dimethylethyl)-
CID 604080
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine
CID 36755
4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
CID 6430809
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293
N-(tert-Butyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 176454
2-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-methylpropiononitrile
CID 118350
Terbuthylazine-(ethyl-d5)
CID 102211220
N~2~-tert-Butyl-1,3,5-triazine-2,4,6-triamine
CID 20131610
N,N'-di-(t-butyl)melamine
CID 20532626

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine (CID 6430812) is 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine is CCC(C)(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is HIIWFTFAKHZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N4/c1-4-8(2,3)14-7-12-5(9)11-6(10)13-7/h4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 235.12 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6430812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).