4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine

C10H7ClF3N5S — CID 80882220

IUPAC4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H7ClF3N5S/c1-15-8-17-7(11)18-9(19-8)20-6-3-2-5(4-16-6)10(12,13)14/h2-4H,1H3,(H,15,17,18,19)
InChIKeyUCUSGXITAQGBIH-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80882220) has the molecular formula C10H7ClF3N5S and a molecular weight of 321.72 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80882220
Molecular FormulaC10H7ClF3N5S
Molecular Weight321.72 g/mol
Exact Mass321.01
IUPAC Name4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H7ClF3N5S/c1-15-8-17-7(11)18-9(19-8)20-6-3-2-5(4-16-6)10(12,13)14/h2-4H,1H3,(H,15,17,18,19)
InChIKeyUCUSGXITAQGBIH-UHFFFAOYSA-N
XLogP3.13
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80890887
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
CID 81038239
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55065185
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80920019
6-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine-4-carboxylic acid
CID 107555126
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858
1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
CID 63805451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine (CID 80882220) is 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Sc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is UCUSGXITAQGBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5S/c1-15-8-17-7(11)18-9(19-8)20-6-3-2-5(4-16-6)10(12,13)14/h2-4H,1H3,(H,15,17,18,19).
What are the key properties of 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 321.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).