6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine

C9H18N6S — CID 145028921

IUPAC6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(NC)nc(NCCNC)n1
InChIInChI=1S/C9H18N6S/c1-4-16-9-14-7(11-3)13-8(15-9)12-6-5-10-2/h10H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyVVICXBQLXGZVJF-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.66
Rot. Bonds7

About 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine

6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 145028921) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID145028921
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCSc1nc(NC)nc(NCCNC)n1
InChIInChI=1S/C9H18N6S/c1-4-16-9-14-7(11-3)13-8(15-9)12-6-5-10-2/h10H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyVVICXBQLXGZVJF-UHFFFAOYSA-N
XLogP0.66
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-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

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
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
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
N-ethyl-4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-amine
CID 118921040
2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118933409
2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylsulfanyl]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethanethiol
CID 118921041
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 118932888
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-N-(2-aminoethyl)-4-N-[3-[4-[3-[4-(2-aminoethylamino)-6-[3-[4-[3-[4-(2-aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]propylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]propylamino]-1,3,5-triazin-2-yl]propylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]propyl]-6-[3-[[4-(3-aminopropyl)-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]propyl]-1,3,5-triazine-2,4-diamine
CID 158738453
ethene;6-ethylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 67854525
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine (CID 145028921) is 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine is CCSc1nc(NC)nc(NCCNC)n1.
What is the InChIKey of 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VVICXBQLXGZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-4-16-9-14-7(11-3)13-8(15-9)12-6-5-10-2/h10H,4-6H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 242.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-4-N-methyl-2-N-[2-(methylamino)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 145028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).