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

C11H18Cl2N4 — CID 11644801

IUPAC4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-4-5-6-7-11(2,3)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyQWTJTLMBYOMUGY-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.95
Rot. Bonds6

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

4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 11644801) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine
PubChem CID11644801
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCCCC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-4-5-6-7-11(2,3)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyQWTJTLMBYOMUGY-UHFFFAOYSA-N
XLogP3.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
CID 6430809
6-Chloro-N,N'-(1,1,3,3-tetramethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430814
2,2,6,6-tetramethylpiperidine 4-amino-(N,N-dichlorotriazine)
CID 192179
6-Chloro-N,N'-(1,1-dimethylpropyl)-[1,3,5]triazine-2,4-diamine
CID 6430817
(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
6-Chloro-N,N'-(1,1-dimethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430816
2,4-Bischloro-6-(2-ethylhexyl)imino-1,3,5-triazine
CID 18671082
2,4-Dichloro-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
CID 19991766
2-Chloro-4-ethylamino-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine
CID 19991790

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine (CID 11644801) is 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine is CCCCCC(C)(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is QWTJTLMBYOMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N4/c1-4-5-6-7-11(2,3)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 277.20 g/mol, XLogP of 3.95, 6 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-methylheptan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11644801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).