2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one

C19H23N3O3 — CID 135963718

IUPAC2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-25-15-8-6-14(7-9-15)12-18(24)22-10-4-5-16(22)19-20-13(2)11-17(23)21-19/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,21,23)/t16-/m1/s1
InChIKeyTUHPCTXUGJFEON-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.38
Rot. Bonds5

About 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135963718) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135963718
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-25-15-8-6-14(7-9-15)12-18(24)22-10-4-5-16(22)19-20-13(2)11-17(23)21-19/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,21,23)/t16-/m1/s1
InChIKeyTUHPCTXUGJFEON-MRXNPFEDSA-N
XLogP2.38
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963720
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
2-(4-ethoxyphenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893795
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825085
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 55890097
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 135963718) is 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one is CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is TUHPCTXUGJFEON-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-25-15-8-6-14(7-9-15)12-18(24)22-10-4-5-16(22)19-20-13(2)11-17(23)21-19/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,21,23)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 341.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).