5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one

C21H22N2O2 — CID 53191834

IUPAC5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
SMILESCc1ccc(Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-8-10-17(11-9-15)14-23-20(18-6-4-3-5-7-18)22-16(2)19(12-13-24)21(23)25/h3-11,24H,12-14H2,1-2H3
InChIKeyYOWVETGLWNVCSV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.11
Rot. Bonds5

About 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one

5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one (PubChem CID 53191834) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
PubChem CID53191834
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one
SMILESCc1ccc(Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C21H22N2O2/c1-15-8-10-17(11-9-15)14-23-20(18-6-4-3-5-7-18)22-16(2)19(12-13-24)21(23)25/h3-11,24H,12-14H2,1-2H3
InChIKeyYOWVETGLWNVCSV-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.11
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-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one (CID 53191834) is 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one is Cc1ccc(Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one?
The InChIKey is YOWVETGLWNVCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-8-10-17(11-9-15)14-23-20(18-6-4-3-5-7-18)22-16(2)19(12-13-24)21(23)25/h3-11,24H,12-14H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one?
5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.11, 5 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-3-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-one is sourced from PubChem (CID 53191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).