6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C11H17F3N6O — CID 80818936

IUPAC6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCOCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)7-21-6-3-16-9-17-8(15)18-10(19-9)20-4-1-2-5-20/h1-7H2,(H3,15,16,17,18,19)
InChIKeyIRZVPHRGAFTZSG-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.04
Rot. Bonds6

About 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80818936) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80818936
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCOCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)7-21-6-3-16-9-17-8(15)18-10(19-9)20-4-1-2-5-20/h1-7H2,(H3,15,16,17,18,19)
InChIKeyIRZVPHRGAFTZSG-UHFFFAOYSA-N
XLogP1.04
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80818936) is 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(NCCOCC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IRZVPHRGAFTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c12-11(13,14)7-21-6-3-16-9-17-8(15)18-10(19-9)20-4-1-2-5-20/h1-7H2,(H3,15,16,17,18,19).
What are the key properties of 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 306.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).