N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

C8H15N5S — CID 126546654

IUPACN'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C8H15N5S/c1-3-14-8-12-6(2)11-7(13-8)10-5-4-9/h3-5,9H2,1-2H3,(H,10,11,12,13)
InChIKeyPDKLBSKTXHYWAI-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.66
Rot. Bonds5

About N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 126546654) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID126546654
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C8H15N5S/c1-3-14-8-12-6(2)11-7(13-8)10-5-4-9/h3-5,9H2,1-2H3,(H,10,11,12,13)
InChIKeyPDKLBSKTXHYWAI-UHFFFAOYSA-N
XLogP0.66
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
1,3,5-Triazin-2-amine, N,4-dimethyl-6-(ethylthio)-
CID 3044743
4,6-Bis-(ethylamino)-2-thiomethyl-1,3,5-triazine
CID 57179626
4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 15520739
N-ethyl-4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
CID 68165190
N'-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 69737268
[[4-(Methylaminomethylsulfanyl)-6-[(sulfanylmethylamino)methyl]-1,3,5-triazin-2-yl]methylamino]methanethiol
CID 89133765
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921037
2-N-(2-aminoethyl)-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118921133
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 118932888
N'-[4,6-bis(ethylsulfanyl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 118932890

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 126546654) is N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is CCSc1nc(C)nc(NCCN)n1.
What is the InChIKey of N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is PDKLBSKTXHYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-3-14-8-12-6(2)11-7(13-8)10-5-4-9/h3-5,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 213.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 126546654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).