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

C11H21N5S — CID 145028934

IUPACN'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C11H21N5S/c1-3-4-5-8-17-11-15-9(2)14-10(16-11)13-7-6-12/h3-8,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUDZNXKLFUQIOID-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.83
Rot. Bonds8

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

N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 145028934) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID145028934
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCCCCCSc1nc(C)nc(NCCN)n1
InChIInChI=1S/C11H21N5S/c1-3-4-5-8-17-11-15-9(2)14-10(16-11)13-7-6-12/h3-8,12H2,1-2H3,(H,13,14,15,16)
InChIKeyUDZNXKLFUQIOID-UHFFFAOYSA-N
XLogP1.83
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, N,4-dimethyl-6-(ethylthio)-
CID 3044743
2-(1-Amino-3-methylthiopropyl)-4-amino-6-dimethylamino-S-triazine
CID 597828
6-butylsulfanyl-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 426848
4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 15520739
4-[(Cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 22349811
N-ethyl-4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
CID 68165190
[[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
N'-(4-chloro-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921915
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 118932888
N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 121399676
N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 126546654

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 145028934) is N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is CCCCCSc1nc(C)nc(NCCN)n1.
What is the InChIKey of N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is UDZNXKLFUQIOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-3-4-5-8-17-11-15-9(2)14-10(16-11)13-7-6-12/h3-8,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 255.39 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 145028934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).