4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C19H23N3O4 — CID 136844622

IUPAC4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C)cc1CC(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C19H23N3O4/c1-12-4-5-17(25-3)14(8-12)9-19(24)22-6-7-26-11-16(22)15-10-18(23)21-13(2)20-15/h4-5,8,10,16H,6-7,9,11H2,1-3H3,(H,20,21,23)
InChIKeyNYGYBSQGQMTLNQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.54
Rot. Bonds4

About 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136844622) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136844622
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C)cc1CC(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C19H23N3O4/c1-12-4-5-17(25-3)14(8-12)9-19(24)22-6-7-26-11-16(22)15-10-18(23)21-13(2)20-15/h4-5,8,10,16H,6-7,9,11H2,1-3H3,(H,20,21,23)
InChIKeyNYGYBSQGQMTLNQ-UHFFFAOYSA-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

2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052908
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
2-methyl-4-[(3S)-4-(2-pyrazol-1-ylacetyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137166586
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166547
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
4-[(3S)-4-(1-ethyl-5-methylpyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032362
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
4-[(3S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136844622) is 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is COc1ccc(C)cc1CC(=O)N1CCOCC1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NYGYBSQGQMTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-4-5-17(25-3)14(8-12)9-19(24)22-6-7-26-11-16(22)15-10-18(23)21-13(2)20-15/h4-5,8,10,16H,6-7,9,11H2,1-3H3,(H,20,21,23).
What are the key properties of 4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-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-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).