5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one

C16H20N2O2 — CID 53191830

IUPAC5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(C(C)C)c(=O)c1CCO
InChIInChI=1S/C16H20N2O2/c1-11(2)18-15(13-7-5-4-6-8-13)17-12(3)14(9-10-19)16(18)20/h4-8,11,19H,9-10H2,1-3H3
InChIKeyIGWAAYJJTPYMIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds4

About 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one

5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 53191830) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one
PubChem CID53191830
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(C(C)C)c(=O)c1CCO
InChIInChI=1S/C16H20N2O2/c1-11(2)18-15(13-7-5-4-6-8-13)17-12(3)14(9-10-19)16(18)20/h4-8,11,19H,9-10H2,1-3H3
InChIKeyIGWAAYJJTPYMIY-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one (CID 53191830) is 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one is Cc1nc(-c2ccccc2)n(C(C)C)c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is IGWAAYJJTPYMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-15(13-7-5-4-6-8-13)17-12(3)14(9-10-19)16(18)20/h4-8,11,19H,9-10H2,1-3H3.
What are the key properties of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one?
5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 53191830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).