6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine

C12H19N5S — CID 137018153

IUPAC6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC/N=C1/NC(N(C)c2csc(C)c2)=NC(C)N1
InChIInChI=1S/C12H19N5S/c1-5-13-11-14-9(3)15-12(16-11)17(4)10-6-8(2)18-7-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyPSFFWQSRKJANMA-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.76
Rot. Bonds2

About 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 137018153) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID137018153
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC/N=C1/NC(N(C)c2csc(C)c2)=NC(C)N1
InChIInChI=1S/C12H19N5S/c1-5-13-11-14-9(3)15-12(16-11)17(4)10-6-8(2)18-7-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyPSFFWQSRKJANMA-UHFFFAOYSA-N
XLogP1.76
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
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 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 137018153) is 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC/N=C1/NC(N(C)c2csc(C)c2)=NC(C)N1.
What is the InChIKey of 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is PSFFWQSRKJANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-5-13-11-14-9(3)15-12(16-11)17(4)10-6-8(2)18-7-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 265.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylimino-N,2-dimethyl-N-(5-methylthiophen-3-yl)-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 137018153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).