5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C6H6F3N3O — CID 142719509

IUPAC5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1ncncc1OCC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-4-1-11-3-12-5(4)10/h1,3H,2H2,(H2,10,11,12)
InChIKeyRKVCWOLMKDLRCV-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds2

About 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 142719509) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID142719509
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1ncncc1OCC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-4-1-11-3-12-5(4)10/h1,3H,2H2,(H2,10,11,12)
InChIKeyRKVCWOLMKDLRCV-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,2,2-trifluoroethoxy)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 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 142719509) is 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Nc1ncncc1OCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is RKVCWOLMKDLRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)2-13-4-1-11-3-12-5(4)10/h1,3H,2H2,(H2,10,11,12).
What are the key properties of 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 193.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 142719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).