4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C11H12Cl2N6 — CID 80847427

IUPAC4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H12Cl2N6/c1-19(2)11-17-9(14)16-10(18-11)15-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyPBXCRBSALITCIY-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.57
Rot. Bonds3

About 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80847427) has the molecular formula C11H12Cl2N6 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80847427
Molecular FormulaC11H12Cl2N6
Molecular Weight299.17 g/mol
Exact Mass298.05
IUPAC Name4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H12Cl2N6/c1-19(2)11-17-9(14)16-10(18-11)15-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyPBXCRBSALITCIY-UHFFFAOYSA-N
XLogP2.57
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
6-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83077703
6-chloro-4-N-(2,5-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55124757
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80851450
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80847427) is 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PBXCRBSALITCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N6/c1-19(2)11-17-9(14)16-10(18-11)15-8-6(12)4-3-5-7(8)13/h3-5H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 299.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80847427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).