3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

C21H18FN3O2 — CID 25182017

IUPAC3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccnc(-c3cccc(F)c3)n2)C(=O)O1
InChIInChI=1S/C21H18FN3O2/c1-21(16-7-3-2-4-8-16)11-13-25(20(26)27-21)18-10-12-23-19(24-18)15-6-5-9-17(22)14-15/h2-10,12,14H,11,13H2,1H3
InChIKeyYVYVSIJEJYEWBG-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.54
Rot. Bonds3

About 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25182017) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID25182017
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccnc(-c3cccc(F)c3)n2)C(=O)O1
InChIInChI=1S/C21H18FN3O2/c1-21(16-7-3-2-4-8-16)11-13-25(20(26)27-21)18-10-12-23-19(24-18)15-6-5-9-17(22)14-15/h2-10,12,14H,11,13H2,1H3
InChIKeyYVYVSIJEJYEWBG-UHFFFAOYSA-N
XLogP4.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 25182017) is 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2ccnc(-c3cccc(F)c3)n2)C(=O)O1.
What is the InChIKey of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is YVYVSIJEJYEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-21(16-7-3-2-4-8-16)11-13-25(20(26)27-21)18-10-12-23-19(24-18)15-6-5-9-17(22)14-15/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 363.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25182017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).