4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C11H15ClF3N5O — CID 63833718

IUPAC4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H15ClF3N5O/c12-8-17-9(16-3-6-21-7-11(13,14)15)19-10(18-8)20-4-1-2-5-20/h1-7H2,(H,16,17,18,19)
InChIKeyJGVIIISFEIZKHV-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.12
Rot. Bonds6

About 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 63833718) has the molecular formula C11H15ClF3N5O and a molecular weight of 325.72 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID63833718
Molecular FormulaC11H15ClF3N5O
Molecular Weight325.72 g/mol
Exact Mass325.09
IUPAC Name4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H15ClF3N5O/c12-8-17-9(16-3-6-21-7-11(13,14)15)19-10(18-8)20-4-1-2-5-20/h1-7H2,(H,16,17,18,19)
InChIKeyJGVIIISFEIZKHV-UHFFFAOYSA-N
XLogP2.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 63833718) is 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is FC(F)(F)COCCNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is JGVIIISFEIZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N5O/c12-8-17-9(16-3-6-21-7-11(13,14)15)19-10(18-8)20-4-1-2-5-20/h1-7H2,(H,16,17,18,19).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 325.72 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63833718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).