6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine

C12H20ClN5 — CID 55125514

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2(C)CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-12(7-5-4-6-8-12)17-10-14-9(13)15-11(16-10)18(2)3/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyKLPCOCFXKJUCGJ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds3

About 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 55125514) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID55125514
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2(C)CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-12(7-5-4-6-8-12)17-10-14-9(13)15-11(16-10)18(2)3/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyKLPCOCFXKJUCGJ-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293
1-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727398
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
6-chloro-2-N-(1-ethynylcyclohexyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727402
1-[[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727501
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]cyclohexane-1-carbonitrile
CID 71727502
1-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727608
1-[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727609
1-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727612
1-[[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727507
1-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
CID 71727403

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (CID 55125514) is 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NC2(C)CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KLPCOCFXKJUCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-12(7-5-4-6-8-12)17-10-14-9(13)15-11(16-10)18(2)3/h4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).