6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one

C18H23N3O3 — CID 53200994

IUPAC6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(Cc2cccc(OC)c2)c(N2CCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-23-13-15-11-17(22)21(18(19-15)20-8-3-4-9-20)12-14-6-5-7-16(10-14)24-2/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyLOEYZXZXXMDSDD-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.05
Rot. Bonds6

About 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one

6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 53200994) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID53200994
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCOCc1cc(=O)n(Cc2cccc(OC)c2)c(N2CCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-23-13-15-11-17(22)21(18(19-15)20-8-3-4-9-20)12-14-6-5-7-16(10-14)24-2/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3
InChIKeyLOEYZXZXXMDSDD-UHFFFAOYSA-N
XLogP2.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one (CID 53200994) is 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one is COCc1cc(=O)n(Cc2cccc(OC)c2)c(N2CCCC2)n1.
What is the InChIKey of 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is LOEYZXZXXMDSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-13-15-11-17(22)21(18(19-15)20-8-3-4-9-20)12-14-6-5-7-16(10-14)24-2/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one?
6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53200994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).