4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one

C23H17F3N4O2 — CID 171485680

IUPAC4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-8-4-7-16(11-18)19-13-20(29-22(27)28-19)17-9-10-30(21(31)12-17)14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,28,29)
InChIKeyYXDYQHYAYOZKDY-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.50
Rot. Bonds5

About 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one

4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one (PubChem CID 171485680) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one
PubChem CID171485680
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-8-4-7-16(11-18)19-13-20(29-22(27)28-19)17-9-10-30(21(31)12-17)14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,28,29)
InChIKeyYXDYQHYAYOZKDY-UHFFFAOYSA-N
XLogP4.50
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one?
The IUPAC name of 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one (CID 171485680) is 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one.
What is the SMILES notation for 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one?
The canonical SMILES for 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one is Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(-c2ccn(Cc3ccccc3)c(=O)c2)n1.
What is the InChIKey of 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one?
The InChIKey is YXDYQHYAYOZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)32-18-8-4-7-16(11-18)19-13-20(29-22(27)28-19)17-9-10-30(21(31)12-17)14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,28,29).
What are the key properties of 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one?
4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one has a molecular weight of 438.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-1-benzylpyridin-2-one is sourced from PubChem (CID 171485680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).