5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine

C11H8ClF3N4O2 — CID 171552626

IUPAC5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
SMILESNc1ncc(Oc2ncc(Cl)cc2OCC(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N4O2/c12-6-1-8(20-5-11(13,14)15)9(17-2-6)21-7-3-18-10(16)19-4-7/h1-4H,5H2,(H2,16,18,19)
InChIKeyNWPHJARHBVFVPO-UHFFFAOYSA-N
MW320.66 g/mol
LogP2.84
Rot. Bonds4

About 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine

5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine (PubChem CID 171552626) has the molecular formula C11H8ClF3N4O2 and a molecular weight of 320.66 g/mol. Its IUPAC name is 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
PubChem CID171552626
Molecular FormulaC11H8ClF3N4O2
Molecular Weight320.66 g/mol
Exact Mass320.03
IUPAC Name5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
SMILESNc1ncc(Oc2ncc(Cl)cc2OCC(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N4O2/c12-6-1-8(20-5-11(13,14)15)9(17-2-6)21-7-3-18-10(16)19-4-7/h1-4H,5H2,(H2,16,18,19)
InChIKeyNWPHJARHBVFVPO-UHFFFAOYSA-N
XLogP2.84
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine?
The IUPAC name of 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine (CID 171552626) is 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine.
What is the SMILES notation for 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine?
The canonical SMILES for 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine is Nc1ncc(Oc2ncc(Cl)cc2OCC(F)(F)F)cn1.
What is the InChIKey of 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine?
The InChIKey is NWPHJARHBVFVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O2/c12-6-1-8(20-5-11(13,14)15)9(17-2-6)21-7-3-18-10(16)19-4-7/h1-4H,5H2,(H2,16,18,19).
What are the key properties of 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine?
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine has a molecular weight of 320.66 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine is sourced from PubChem (CID 171552626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).