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

C12H13ClFN5 — CID 55124626

IUPAC6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H13ClFN5/c1-19(2)12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyXXGKDADMNNZAJG-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.34
Rot. Bonds4

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

6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 55124626) has the molecular formula C12H13ClFN5 and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID55124626
Molecular FormulaC12H13ClFN5
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC Name6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H13ClFN5/c1-19(2)12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeyXXGKDADMNNZAJG-UHFFFAOYSA-N
XLogP2.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-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 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 55124626) is 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XXGKDADMNNZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5/c1-19(2)12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.72 g/mol, XLogP of 2.34, 4 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-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55124626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).