5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine

C6H11ClFN5 — CID 137187416

IUPAC5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC/N=C1/NC(N)=NC(F)N1CCl
InChIInChI=1S/C6H11ClFN5/c1-2-10-6-12-5(9)11-4(8)13(6)3-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyQYAIDNVVWZBTJH-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.03
Rot. Bonds2

About 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine

5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 137187416) has the molecular formula C6H11ClFN5 and a molecular weight of 207.64 g/mol. Its IUPAC name is 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID137187416
Molecular FormulaC6H11ClFN5
Molecular Weight207.64 g/mol
Exact Mass207.07
IUPAC Name5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC/N=C1/NC(N)=NC(F)N1CCl
InChIInChI=1S/C6H11ClFN5/c1-2-10-6-12-5(9)11-4(8)13(6)3-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyQYAIDNVVWZBTJH-UHFFFAOYSA-N
XLogP0.03
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine (CID 137187416) is 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine is CC/N=C1/NC(N)=NC(F)N1CCl.
What is the InChIKey of 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is QYAIDNVVWZBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClFN5/c1-2-10-6-12-5(9)11-4(8)13(6)3-7/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine?
5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 207.64 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-ethylimino-4-fluoro-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 137187416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).