6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C13H15ClFN5 — CID 115504767

IUPAC6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H15ClFN5/c1-3-20(4-2)13-18-11(17-12(16)19-13)8-5-9(14)7-10(15)6-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQIHRWFJUYKGKD-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.76
Rot. Bonds4

About 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 115504767) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID115504767
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C13H15ClFN5/c1-3-20(4-2)13-18-11(17-12(16)19-13)8-5-9(14)7-10(15)6-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQIHRWFJUYKGKD-UHFFFAOYSA-N
XLogP2.76
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-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-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 115504767) is 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UQIHRWFJUYKGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-3-20(4-2)13-18-11(17-12(16)19-13)8-5-9(14)7-10(15)6-8/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115504767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).