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

C11H18Cl2N4 — CID 6430809

IUPAC4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-10(2,3)6-11(4,5)17-9-15-7(12)14-8(13)16-9/h6H2,1-5H3,(H,14,15,16,17)
InChIKeyHPFWYRKGZUGGPB-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.81
Rot. Bonds3

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

4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 6430809) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID6430809
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-10(2,3)6-11(4,5)17-9-15-7(12)14-8(13)16-9/h6H2,1-5H3,(H,14,15,16,17)
InChIKeyHPFWYRKGZUGGPB-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1,1-dimethylethyl)-
CID 604080
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293
6-Chloro-N,N'-(1,1,3,3-tetramethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430814
n,n',n''-Tris(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 228132
6-Chloro-N,N'-(1,1-dimethylpropyl)-[1,3,5]triazine-2,4-diamine
CID 6430817
6-Chloro-2-diethylamino-4-[(1,1,3,3-tetramethylbutyl)amino]-1,3,5-triazine
CID 14668398
6-Chloro-N^2^-propyl-N^4^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80811630
2-Butylamino-6-chloro-4-(2,4,4-trimethylpentan-2-ylamino)-1,3,5-triazine
CID 139072623
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1,3-trimethyl-butyl)-amine
CID 6430810
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1-dimethyl-butyl)-amine
CID 6430811
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1-dimethyl-propyl)-amine
CID 6430812
6-Chloro-N,N'-(1,1,3-trimethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430815

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (CID 6430809) is 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is HPFWYRKGZUGGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N4/c1-10(2,3)6-11(4,5)17-9-15-7(12)14-8(13)16-9/h6H2,1-5H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 277.20 g/mol, XLogP of 3.81, 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-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6430809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).