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

C12H14ClFN6 — CID 80756294

IUPAC4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(F)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H14ClFN6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-5-4-7(14)6-8(9)13/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeyUCEAEDPKKGZVCE-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.52
Rot. Bonds4

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

4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80756294) has the molecular formula C12H14ClFN6 and a molecular weight of 296.74 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80756294
Molecular FormulaC12H14ClFN6
Molecular Weight296.74 g/mol
Exact Mass296.10
IUPAC Name4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(F)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H14ClFN6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-5-4-7(14)6-8(9)13/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeyUCEAEDPKKGZVCE-UHFFFAOYSA-N
XLogP2.52
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-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-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80756294) is 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(F)cc2Cl)nc(N(C)C)n1.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UCEAEDPKKGZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN6/c1-15-10-17-11(19-12(18-10)20(2)3)16-9-5-4-7(14)6-8(9)13/h4-6H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80756294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).