6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H16F3N3O — CID 103150358

IUPAC6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)(F)F)nc(N)c1C
InChIInChI=1S/C11H16F3N3O/c1-3-8-7(2)10(15)17-9(16-8)4-5-18-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXCDZIBUQTRLTSC-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.05
Rot. Bonds5

About 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150358) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150358
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1nc(CCOCC(F)(F)F)nc(N)c1C
InChIInChI=1S/C11H16F3N3O/c1-3-8-7(2)10(15)17-9(16-8)4-5-18-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXCDZIBUQTRLTSC-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine 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-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150358) is 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1nc(CCOCC(F)(F)F)nc(N)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is XCDZIBUQTRLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8-7(2)10(15)17-9(16-8)4-5-18-6-11(12,13)14/h3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).