4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one

C20H20N2O2 — CID 135459412

IUPAC4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCC(O)Cc1c(Cc2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H20N2O2/c1-14(23)12-17-18(13-15-8-4-2-5-9-15)21-19(22-20(17)24)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3,(H,21,22,24)
InChIKeyCBQZJQYISSUOBA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.95
Rot. Bonds5

About 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one

4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135459412) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135459412
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCC(O)Cc1c(Cc2ccccc2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H20N2O2/c1-14(23)12-17-18(13-15-8-4-2-5-9-15)21-19(22-20(17)24)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3,(H,21,22,24)
InChIKeyCBQZJQYISSUOBA-UHFFFAOYSA-N
XLogP2.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one (CID 135459412) is 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one is CC(O)Cc1c(Cc2ccccc2)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is CBQZJQYISSUOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(23)12-17-18(13-15-8-4-2-5-9-15)21-19(22-20(17)24)16-10-6-3-7-11-16/h2-11,14,23H,12-13H2,1H3,(H,21,22,24).
What are the key properties of 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one?
4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 320.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(2-hydroxypropyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).