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

C10H8ClFN4S — CID 83083653

IUPAC4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4S/c1-17-10-15-8(14-9(13)16-10)5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyZBPNBYXPYJWKLD-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.64
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083653) has the molecular formula C10H8ClFN4S and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083653
Molecular FormulaC10H8ClFN4S
Molecular Weight270.72 g/mol
Exact Mass270.01
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN4S/c1-17-10-15-8(14-9(13)16-10)5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyZBPNBYXPYJWKLD-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083653) is 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is ZBPNBYXPYJWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4S/c1-17-10-15-8(14-9(13)16-10)5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 270.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).