4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

C19H23N3O4 — CID 137052908

IUPAC4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C19H23N3O4/c1-12-4-5-16(25-3)14(8-12)9-19(24)22-6-7-26-17(11-22)15-10-18(23)21-13(2)20-15/h4-5,8,10,17H,6-7,9,11H2,1-3H3,(H,20,21,23)/t17-/m0/s1
InChIKeyNLEOLQONPMAKGX-KRWDZBQOSA-N
MW357.41 g/mol
LogP1.54
Rot. Bonds4

About 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137052908) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137052908
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C19H23N3O4/c1-12-4-5-16(25-3)14(8-12)9-19(24)22-6-7-26-17(11-22)15-10-18(23)21-13(2)20-15/h4-5,8,10,17H,6-7,9,11H2,1-3H3,(H,20,21,23)/t17-/m0/s1
InChIKeyNLEOLQONPMAKGX-KRWDZBQOSA-N
XLogP1.54
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622
4-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 137145712
4-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 136844422
2-methyl-4-[(2R)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169709
2-methyl-4-[(2S)-4-(2-pyridin-3-ylacetyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169708
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124980166
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137052908) is 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NLEOLQONPMAKGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-4-5-16(25-3)14(8-12)9-19(24)22-6-7-26-17(11-22)15-10-18(23)21-13(2)20-15/h4-5,8,10,17H,6-7,9,11H2,1-3H3,(H,20,21,23)/t17-/m0/s1.
What are the key properties of 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 357.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137052908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).