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

C6H6F3N3O — CID 61146447

IUPAC2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
SMILESNc1cnc(OCC(F)(F)F)nc1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-13-5-11-1-4(10)2-12-5/h1-2H,3,10H2
InChIKeyUVMSBEGCOFRUHM-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds2

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

2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine (PubChem CID 61146447) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
PubChem CID61146447
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
SMILESNc1cnc(OCC(F)(F)F)nc1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-13-5-11-1-4(10)2-12-5/h1-2H,3,10H2
InChIKeyUVMSBEGCOFRUHM-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine (CID 61146447) is 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine is Nc1cnc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The InChIKey is UVMSBEGCOFRUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-13-5-11-1-4(10)2-12-5/h1-2H,3,10H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
2-(2,2,2-trifluoroethoxy)pyrimidin-5-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 2-(2,2,2-trifluoroethoxy)pyrimidin-5-amine is sourced from PubChem (CID 61146447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).