4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C12H9F4N3O2 — CID 2218394

IUPAC4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1
InChIInChI=1S/C12H9F4N3O2/c13-7-3-1-2-4-8(7)21-10-5-9(18-11(17)19-10)20-6-12(14,15)16/h1-5H,6H2,(H2,17,18,19)
InChIKeyZUWPMHPSAZFFSS-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.93
Rot. Bonds4

About 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 2218394) has the molecular formula C12H9F4N3O2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID2218394
Molecular FormulaC12H9F4N3O2
Molecular Weight303.21 g/mol
Exact Mass303.06
IUPAC Name4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1
InChIInChI=1S/C12H9F4N3O2/c13-7-3-1-2-4-8(7)21-10-5-9(18-11(17)19-10)20-6-12(14,15)16/h1-5H,6H2,(H2,17,18,19)
InChIKeyZUWPMHPSAZFFSS-UHFFFAOYSA-N
XLogP2.93
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 2218394) is 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is ZUWPMHPSAZFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2/c13-7-3-1-2-4-8(7)21-10-5-9(18-11(17)19-10)20-6-12(14,15)16/h1-5H,6H2,(H2,17,18,19).
What are the key properties of 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 303.21 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 2218394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).