4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine

C8H12ClFN4 — CID 130657377

IUPAC4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine
SMILESCC(C)CC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClFN4/c1-4(2)3-5(10)6-12-7(9)14-8(11)13-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14)
InChIKeySGHNHOQJUCITBM-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.16
Rot. Bonds3

About 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine

4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine (PubChem CID 130657377) has the molecular formula C8H12ClFN4 and a molecular weight of 218.66 g/mol. Its IUPAC name is 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine
PubChem CID130657377
Molecular FormulaC8H12ClFN4
Molecular Weight218.66 g/mol
Exact Mass218.07
IUPAC Name4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine
SMILESCC(C)CC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C8H12ClFN4/c1-4(2)3-5(10)6-12-7(9)14-8(11)13-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14)
InChIKeySGHNHOQJUCITBM-UHFFFAOYSA-N
XLogP2.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine (CID 130657377) is 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine is CC(C)CC(F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is SGHNHOQJUCITBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN4/c1-4(2)3-5(10)6-12-7(9)14-8(11)13-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 218.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 130657377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).