6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione

C18H20ClN3O5 — CID 154789318

IUPAC6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
SMILESCOc1c(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H20ClN3O5/c1-18(2)9-27-12(10-5-4-6-11(19)7-10)8-22(18)16(24)13-14(26-3)15(23)21-17(25)20-13/h4-7,12H,8-9H2,1-3H3,(H2,20,21,23,25)
InChIKeyXIRMBYFFAVBZIS-UHFFFAOYSA-N
MW393.83 g/mol
LogP1.72
Rot. Bonds3

About 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione

6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione (PubChem CID 154789318) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
PubChem CID154789318
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC Name6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
SMILESCOc1c(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H20ClN3O5/c1-18(2)9-27-12(10-5-4-6-11(19)7-10)8-22(18)16(24)13-14(26-3)15(23)21-17(25)20-13/h4-7,12H,8-9H2,1-3H3,(H2,20,21,23,25)
InChIKeyXIRMBYFFAVBZIS-UHFFFAOYSA-N
XLogP1.72
TPSA104.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)morpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 53599141
1-[2-[(2R)-2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 164629692
2-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 53554931
(2S)-2-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95175730
(2R)-2-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95175731
(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 100856825
(2S)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 100856826
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 3-chlorobenzoate
CID 24363298
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-chloro-2-methylphenoxy)-N-pentylacetamide
CID 24402221
6-Amino-3-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyethyl)-5-piperidin-1-ylpyrimidine-2,4-dione
CID 42956310
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(2-chlorophenyl)methoxy]-N-methylacetamide
CID 45907585
5-((3-chlorobenzyl)oxy)-1-methyl-2-(morpholine-4-carbonyl)pyridin-4(1H)-one
CID 51054756

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione (CID 154789318) is 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione is COc1c(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione?
The InChIKey is XIRMBYFFAVBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-18(2)9-27-12(10-5-4-6-11(19)7-10)8-22(18)16(24)13-14(26-3)15(23)21-17(25)20-13/h4-7,12H,8-9H2,1-3H3,(H2,20,21,23,25).
What are the key properties of 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione?
6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione has a molecular weight of 393.83 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154789318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).