6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C10H11ClF3N3S — CID 103879883

IUPAC6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESFC(F)(F)SCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H11ClF3N3S/c11-7-5-8(15-3-4-18-10(12,13)14)17-9(16-7)6-1-2-6/h5-6H,1-4H2,(H,15,16,17)
InChIKeyASKSBYMVVGTUCA-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.67
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 103879883) has the molecular formula C10H11ClF3N3S and a molecular weight of 297.73 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID103879883
Molecular FormulaC10H11ClF3N3S
Molecular Weight297.73 g/mol
Exact Mass297.03
IUPAC Name6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESFC(F)(F)SCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H11ClF3N3S/c11-7-5-8(15-3-4-18-10(12,13)14)17-9(16-7)6-1-2-6/h5-6H,1-4H2,(H,15,16,17)
InChIKeyASKSBYMVVGTUCA-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 103879883) is 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is FC(F)(F)SCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is ASKSBYMVVGTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3S/c11-7-5-8(15-3-4-18-10(12,13)14)17-9(16-7)6-1-2-6/h5-6H,1-4H2,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 297.73 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103879883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).