6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C13H16ClN5S — CID 23051

IUPAC6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5S/c1-3-15-11-17-12(16-4-2)19-13(18-11)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJNTKCOYSALNZKV-UHFFFAOYSA-N
MW309.83 g/mol
LogP3.54
Rot. Bonds6

About 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 23051) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID23051
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5S/c1-3-15-11-17-12(16-4-2)19-13(18-11)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJNTKCOYSALNZKV-UHFFFAOYSA-N
XLogP3.54
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)sulfanyl-2-N,4-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

Related Compounds

N-(2-tert-butylsulfanylethyl)-4-(4-chlorophenyl)sulfanyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 2799620
4-chloro-N-(2-{[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amino}ethyl)benzenesulfonamide
CID 4397758
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80873606
4-chloro-N-ethyl-6-(4-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80882321
4-chloro-6-(4-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80882535
4-N-ethyl-6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80883544
4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80884349
4-chloro-N-ethyl-6-(2-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80884353
4-chloro-6-(2,5-difluorophenyl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80884391
4-chloro-6-(2,5-difluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80884470
4-N-ethyl-6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80885184

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 23051) is 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(Sc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JNTKCOYSALNZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-3-15-11-17-12(16-4-2)19-13(18-11)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 309.83 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).