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

C6H8ClFN4 — CID 12040789

IUPAC4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
SMILESCCC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClFN4/c1-2-3(8)4-10-5(7)12-6(9)11-4/h3H,2H2,1H3,(H2,9,10,11,12)
InChIKeyUWXFTBCTJUFKBW-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.53
Rot. Bonds2

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

4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 12040789) has the molecular formula C6H8ClFN4 and a molecular weight of 190.61 g/mol. Its IUPAC name is 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
PubChem CID12040789
Molecular FormulaC6H8ClFN4
Molecular Weight190.61 g/mol
Exact Mass190.04
IUPAC Name4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
SMILESCCC(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H8ClFN4/c1-2-3(8)4-10-5(7)12-6(9)11-4/h3H,2H2,1H3,(H2,9,10,11,12)
InChIKeyUWXFTBCTJUFKBW-UHFFFAOYSA-N
XLogP1.53
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.53
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
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
4-Chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 11446828
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
2,4-Dichloro-6-ethyl-1,3,5-triazine
CID 12776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine (CID 12040789) is 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine is CCC(F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is UWXFTBCTJUFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4/c1-2-3(8)4-10-5(7)12-6(9)11-4/h3H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 190.61 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 12040789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).