3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one

C20H20N2O2 — CID 162671217

IUPAC3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-14(2)17-19(23)21-18(16-11-7-4-8-12-16)22(20(17)24)13-15-9-5-3-6-10-15/h3-12,14,23H,13H2,1-2H3
InChIKeyUXFWJPKGJAEWMZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.79
Rot. Bonds4

About 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one

3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 162671217) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one
PubChem CID162671217
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-14(2)17-19(23)21-18(16-11-7-4-8-12-16)22(20(17)24)13-15-9-5-3-6-10-15/h3-12,14,23H,13H2,1-2H3
InChIKeyUXFWJPKGJAEWMZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one (CID 162671217) is 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1c(O)nc(-c2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is UXFWJPKGJAEWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2)17-19(23)21-18(16-11-7-4-8-12-16)22(20(17)24)13-15-9-5-3-6-10-15/h3-12,14,23H,13H2,1-2H3.
What are the key properties of 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one?
3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 320.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-hydroxy-2-phenyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 162671217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).