N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine

C27H36N4S2 — CID 635465

IUPACN,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C27H36N4S2/c1-3-5-7-15-21-31(22-16-8-6-4-2)25-28-26(32-23-17-11-9-12-18-23)30-27(29-25)33-24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3
InChIKeyQRYYZUTUUHIPFG-UHFFFAOYSA-N
MW480.75 g/mol
LogP8.14
Rot. Bonds15

About N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine

N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 635465) has the molecular formula C27H36N4S2 and a molecular weight of 480.75 g/mol. Its IUPAC name is N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID635465
Molecular FormulaC27H36N4S2
Molecular Weight480.75 g/mol
Exact Mass480.24
IUPAC NameN,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C27H36N4S2/c1-3-5-7-15-21-31(22-16-8-6-4-2)25-28-26(32-23-17-11-9-12-18-23)30-27(29-25)33-24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3
InChIKeyQRYYZUTUUHIPFG-UHFFFAOYSA-N
XLogP8.14
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine 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

4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine
CID 635746
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
N-(fluoromethyl)-N-hexylaniline
CID 22637345
(2S)-1-N,1-N-dioctyl-3-phenylpropane-1,2-diamine
CID 102052520
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
2-[4-(octylamino)-6-phenylsulfanyl-1,3,5-triazin-2-yl]benzene-1,4-diol
CID 136759395
2-(dioctadecylamino)phenol
CID 67178725
N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
1-octyl-2-phenylsulfanylbenzene
CID 174593627

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine (CID 635465) is N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine is CCCCCCN(CCCCCC)c1nc(Sc2ccccc2)nc(Sc2ccccc2)n1.
What is the InChIKey of N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is QRYYZUTUUHIPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4S2/c1-3-5-7-15-21-31(22-16-8-6-4-2)25-28-26(32-23-17-11-9-12-18-23)30-27(29-25)33-24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3.
What are the key properties of N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine?
N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 480.75 g/mol, XLogP of 8.14, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 635465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).