4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

C12H12ClFN4S — CID 80884349

IUPAC4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4S/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-6-4-3-5-8(9)14/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyHFOUILKAPJHIDF-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80884349) has the molecular formula C12H12ClFN4S and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80884349
Molecular FormulaC12H12ClFN4S
Molecular Weight298.77 g/mol
Exact Mass298.05
IUPAC Name4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4S/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-6-4-3-5-8(9)14/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyHFOUILKAPJHIDF-UHFFFAOYSA-N
XLogP3.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 80884349) is 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(Sc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HFOUILKAPJHIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4S/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-6-4-3-5-8(9)14/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 298.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).