N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine

C9H16N4S2 — CID 118921040

IUPACN-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCC)nc(SCC)n1
InChIInChI=1S/C9H16N4S2/c1-4-10-7-11-8(14-5-2)13-9(12-7)15-6-3/h4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyOFLGMFLCGPAPBM-UHFFFAOYSA-N
MW244.39 g/mol
LogP2.53
Rot. Bonds6

About N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine

N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 118921040) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID118921040
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC NameN-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCC)nc(SCC)n1
InChIInChI=1S/C9H16N4S2/c1-4-10-7-11-8(14-5-2)13-9(12-7)15-6-3/h4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyOFLGMFLCGPAPBM-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4,6-bis(ethylsulfanyl)-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-N-(2-aminoethyl)-2-N-[2-[[4-(2-aminoethylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 126546684
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanenitrile
CID 14956705
6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 145028921
4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765830
6-ethylsulfanyl-2-N-[2-[(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 126730838
ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 67854525
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385
2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
CID 58689493
2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 977257
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine (CID 118921040) is N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(SCC)nc(SCC)n1.
What is the InChIKey of N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is OFLGMFLCGPAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-4-10-7-11-8(14-5-2)13-9(12-7)15-6-3/h4-6H2,1-3H3,(H,10,11,12,13).
What are the key properties of N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine?
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 244.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118921040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).