8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine

C19H12F3N5O — CID 10068521

IUPAC8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine
SMILESNc1ncc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)13-6-4-11(5-7-13)14-8-16(26-10-25-14)28-15-3-1-2-12-9-24-18(23)27-17(12)15/h1-10H,(H2,23,24,27)
InChIKeyHEWLFIQAUUHYHC-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.48
Rot. Bonds3

About 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine

8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine (PubChem CID 10068521) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine.

Molecular Properties

Compound Name8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine
PubChem CID10068521
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC Name8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine
SMILESNc1ncc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)13-6-4-11(5-7-13)14-8-16(26-10-25-14)28-15-3-1-2-12-9-24-18(23)27-17(12)15/h1-10H,(H2,23,24,27)
InChIKeyHEWLFIQAUUHYHC-UHFFFAOYSA-N
XLogP4.48
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine?
The IUPAC name of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine (CID 10068521) is 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine.
What is the SMILES notation for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine?
The canonical SMILES for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine is Nc1ncc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1.
What is the InChIKey of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine?
The InChIKey is HEWLFIQAUUHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)13-6-4-11(5-7-13)14-8-16(26-10-25-14)28-15-3-1-2-12-9-24-18(23)27-17(12)15/h1-10H,(H2,23,24,27).
What are the key properties of 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine?
8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine has a molecular weight of 383.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinazolin-2-amine is sourced from PubChem (CID 10068521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).