5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine

C20H13F3N6O — CID 90313604

IUPAC5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cn2)cn1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)14-3-4-15(17(8-14)30-19-25-6-1-7-26-19)12-2-5-16(27-9-12)13-10-28-18(24)29-11-13/h1-11H,(H2,24,28,29)
InChIKeyBEHMGCYHTKLGCG-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.39
Rot. Bonds4

About 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 90313604) has the molecular formula C20H13F3N6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID90313604
Molecular FormulaC20H13F3N6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cn2)cn1
InChIInChI=1S/C20H13F3N6O/c21-20(22,23)14-3-4-15(17(8-14)30-19-25-6-1-7-26-19)12-2-5-16(27-9-12)13-10-28-18(24)29-11-13/h1-11H,(H2,24,28,29)
InChIKeyBEHMGCYHTKLGCG-UHFFFAOYSA-N
XLogP4.39
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine (CID 90313604) is 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cn2)cn1.
What is the InChIKey of 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BEHMGCYHTKLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O/c21-20(22,23)14-3-4-15(17(8-14)30-19-25-6-1-7-26-19)12-2-5-16(27-9-12)13-10-28-18(24)29-11-13/h1-11H,(H2,24,28,29).
What are the key properties of 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 410.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-pyrimidin-2-yloxy-4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 90313604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).