4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C18H19N3O5 — CID 137032320

IUPAC4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O5/c1-11-19-13(9-16(22)20-11)14-10-24-6-5-21(14)18(23)12-3-2-4-15-17(12)26-8-7-25-15/h2-4,9,14H,5-8,10H2,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyUAYLKRMAIUKWEB-AWEZNQCLSA-N
MW357.37 g/mol
LogP1.06
Rot. Bonds2

About 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137032320) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137032320
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O5/c1-11-19-13(9-16(22)20-11)14-10-24-6-5-21(14)18(23)12-3-2-4-15-17(12)26-8-7-25-15/h2-4,9,14H,5-8,10H2,1H3,(H,19,20,22)/t14-/m0/s1
InChIKeyUAYLKRMAIUKWEB-AWEZNQCLSA-N
XLogP1.06
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
2-methyl-4-[(3R)-4-(quinoline-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149633
2-methyl-4-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
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-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149615
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140093

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 137032320) is 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2COCCN2C(=O)c2cccc3c2OCCO3)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UAYLKRMAIUKWEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-19-13(9-16(22)20-11)14-10-24-6-5-21(14)18(23)12-3-2-4-15-17(12)26-8-7-25-15/h2-4,9,14H,5-8,10H2,1H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 357.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137032320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).