2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine

C18H18ClFN6 — CID 35953355

IUPAC2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cccc(F)c1)Cc1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H18ClFN6/c1-26(10-12-3-2-4-14(20)9-12)11-16-23-17(21)25-18(24-16)22-15-7-5-13(19)6-8-15/h2-9H,10-11H2,1H3,(H3,21,22,23,24,25)
InChIKeyWRKWWDRISJEYLP-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.62
Rot. Bonds6

About 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 35953355) has the molecular formula C18H18ClFN6 and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID35953355
Molecular FormulaC18H18ClFN6
Molecular Weight372.84 g/mol
Exact Mass372.13
IUPAC Name2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cccc(F)c1)Cc1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H18ClFN6/c1-26(10-12-3-2-4-14(20)9-12)11-16-23-17(21)25-18(24-16)22-15-7-5-13(19)6-8-15/h2-9H,10-11H2,1H3,(H3,21,22,23,24,25)
InChIKeyWRKWWDRISJEYLP-UHFFFAOYSA-N
XLogP3.62
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine 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 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine (CID 35953355) is 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is CN(Cc1cccc(F)c1)Cc1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WRKWWDRISJEYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6/c1-26(10-12-3-2-4-14(20)9-12)11-16-23-17(21)25-18(24-16)22-15-7-5-13(19)6-8-15/h2-9H,10-11H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 372.84 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 35953355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).