1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine

C9H12F3N3O — CID 162524398

IUPAC1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)cc(C(C)N)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3
InChIKeyIGDPHNZJVPUAPR-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine

1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine (PubChem CID 162524398) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
PubChem CID162524398
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)cc(C(C)N)n1
InChIInChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3
InChIKeyIGDPHNZJVPUAPR-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine 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 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The IUPAC name of 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine (CID 162524398) is 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine is Cc1nc(OCC(F)(F)F)cc(C(C)N)n1.
What is the InChIKey of 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
The InChIKey is IGDPHNZJVPUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(13)7-3-8(15-6(2)14-7)16-4-9(10,11)12/h3,5H,4,13H2,1-2H3.
What are the key properties of 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine?
1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 162524398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).