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

C8H10F3N3O — CID 103146521

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)(F)F)nc1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-2-1-7-13-3-6(12)4-14-7/h3-4H,1-2,5,12H2
InChIKeyAWBRMJBPHCRCPF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.18
Rot. Bonds4

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

2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine (PubChem CID 103146521) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
PubChem CID103146521
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine
SMILESNc1cnc(CCOCC(F)(F)F)nc1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)5-15-2-1-7-13-3-6(12)4-14-7/h3-4H,1-2,5,12H2
InChIKeyAWBRMJBPHCRCPF-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-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 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine (CID 103146521) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine is Nc1cnc(CCOCC(F)(F)F)nc1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
The InChIKey is AWBRMJBPHCRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)5-15-2-1-7-13-3-6(12)4-14-7/h3-4H,1-2,5,12H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine?
2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine has a molecular weight of 221.18 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-amine is sourced from PubChem (CID 103146521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).