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

C21H22N2O3 — CID 91912006

IUPAC5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one
SMILESCOc1ccccc1Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O
InChIInChI=1S/C21H22N2O3/c1-15-18(12-13-24)21(25)23(14-17-10-6-7-11-19(17)26-2)20(22-15)16-8-4-3-5-9-16/h3-11,24H,12-14H2,1-2H3
InChIKeyNFRGIMWPKRPAER-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.81
Rot. Bonds6

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

5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one (PubChem CID 91912006) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one
PubChem CID91912006
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one
SMILESCOc1ccccc1Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O
InChIInChI=1S/C21H22N2O3/c1-15-18(12-13-24)21(25)23(14-17-10-6-7-11-19(17)26-2)20(22-15)16-8-4-3-5-9-16/h3-11,24H,12-14H2,1-2H3
InChIKeyNFRGIMWPKRPAER-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one (CID 91912006) is 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one is COc1ccccc1Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one?
The InChIKey is NFRGIMWPKRPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-18(12-13-24)21(25)23(14-17-10-6-7-11-19(17)26-2)20(22-15)16-8-4-3-5-9-16/h3-11,24H,12-14H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one?
5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 91912006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).