4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine

C6H8ClFN4 — CID 11446828

IUPAC4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h1-2H3,(H2,9,10,11,12)
InChIKeyQLGAUXJYKAVRNE-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.31
Rot. Bonds1

About 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 11446828) has the molecular formula C6H8ClFN4 and a molecular weight of 190.61 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID11446828
Molecular FormulaC6H8ClFN4
Molecular Weight190.61 g/mol
Exact Mass190.04
IUPAC Name4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h1-2H3,(H2,9,10,11,12)
InChIKeyQLGAUXJYKAVRNE-UHFFFAOYSA-N
XLogP1.31
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
2-Chloro-4,6-diethyl-1,3,5-triazine
CID 12795
4-Chloro-6-isopropyl-1,3,5-triazin-2-amine
CID 11116532
2-(Tert-butyl)-4,6-dichloro-1,3,5-triazine
CID 15325922
4,6-Di-t-butyl-1,3,5-triazin-2-amine
CID 63869153
1,3,5-Triazine-2,4-diamine, 6-(1-methylpropyl)-
CID 34917
1,3,5-Triazine-2,4-diamine, 6-(1,1-dimethylethyl)-
CID 147626
2-Amino-4-chloro-6-(1-fluoroethyl)-1,3,5-triazine
CID 12040787

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine (CID 11446828) is 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine is CC(C)(F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is QLGAUXJYKAVRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h1-2H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 190.61 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11446828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).