2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5S — CID 136591046

IUPAC2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cscc1CC/N=C1/NC(N)=NC(C)N1
InChIInChI=1S/C11H17N5S/c1-7-5-17-6-9(7)3-4-13-11-15-8(2)14-10(12)16-11/h5-6,8H,3-4H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyYMXOHXVEIBUHLV-UHFFFAOYSA-N
MW251.36 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136591046) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136591046
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCc1cscc1CC/N=C1/NC(N)=NC(C)N1
InChIInChI=1S/C11H17N5S/c1-7-5-17-6-9(7)3-4-13-11-15-8(2)14-10(12)16-11/h5-6,8H,3-4H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyYMXOHXVEIBUHLV-UHFFFAOYSA-N
XLogP0.81
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136591046) is 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is Cc1cscc1CC/N=C1/NC(N)=NC(C)N1.
What is the InChIKey of 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is YMXOHXVEIBUHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-5-17-6-9(7)3-4-13-11-15-8(2)14-10(12)16-11/h5-6,8H,3-4H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?
2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 251.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4-methylthiophen-3-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136591046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).