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

C11H9Cl2F2N5 — CID 83088077

IUPAC6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9Cl2F2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-6(12)3-5(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyILRWFERLUNSTPC-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.27
Rot. Bonds3

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

6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 83088077) has the molecular formula C11H9Cl2F2N5 and a molecular weight of 320.13 g/mol. Its IUPAC name is 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID83088077
Molecular FormulaC11H9Cl2F2N5
Molecular Weight320.13 g/mol
Exact Mass319.02
IUPAC Name6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9Cl2F2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-6(12)3-5(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyILRWFERLUNSTPC-UHFFFAOYSA-N
XLogP3.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 83088077) is 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ILRWFERLUNSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F2N5/c1-20(2)11-18-9(13)17-10(19-11)16-8-6(12)3-5(14)4-7(8)15/h3-4H,1-2H3,(H,16,17,18,19).
What are the key properties of 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 320.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83088077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).