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

C11H12ClFN6 — CID 107531890

IUPAC4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H12ClFN6/c1-19(2)11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyBHTSDIHOGXJJJP-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.06
Rot. Bonds3

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

4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 107531890) has the molecular formula C11H12ClFN6 and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID107531890
Molecular FormulaC11H12ClFN6
Molecular Weight282.71 g/mol
Exact Mass282.08
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C11H12ClFN6/c1-19(2)11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,1-2H3,(H3,14,15,16,17,18)
InChIKeyBHTSDIHOGXJJJP-UHFFFAOYSA-N
XLogP2.06
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 107531890) is 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BHTSDIHOGXJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN6/c1-19(2)11-17-9(14)16-10(18-11)15-8-5-6(13)3-4-7(8)12/h3-5H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 107531890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).