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

C11H16Cl2N4 — CID 79873127

IUPAC4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCC1(C)CCCCC1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H16Cl2N4/c1-11(2)6-4-3-5-7(11)14-10-16-8(12)15-9(13)17-10/h7H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyQSRMQZPZDLEDHL-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.56
Rot. Bonds2

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

4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 79873127) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID79873127
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCC1(C)CCCCC1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H16Cl2N4/c1-11(2)6-4-3-5-7(11)14-10-16-8(12)15-9(13)17-10/h7H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyQSRMQZPZDLEDHL-UHFFFAOYSA-N
XLogP3.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(2,2-dimethylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80849953
4-chloro-N-(2,2-dimethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 79871701
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
N-(2,2-dimethylcyclohexyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362732
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
CID 83076603
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
2-chloro-N-(2,2-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103322101
2-N-(2,2-dimethylcyclohexyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836617
3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788621
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
2-chloro-N-(2,2-dimethylcyclohexyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103322099

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine (CID 79873127) is 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine is CC1(C)CCCCC1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is QSRMQZPZDLEDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-11(2)6-4-3-5-7(11)14-10-16-8(12)15-9(13)17-10/h7H,3-6H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 275.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).