methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate

C23H25BrN4O6 — CID 66922402

IUPACmethyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2n(CC(=O)N3CC(C)OC(C)C3)cc(Br)n2c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H25BrN4O6/c1-14-9-26(10-15(2)34-14)18(29)12-27-11-17(24)28-21(30)20(19(22(31)32-3)25-23(27)28)33-13-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyKRWWZOLXINPOPI-UHFFFAOYSA-N
MW533.38 g/mol
LogP2.26
Rot. Bonds6

About methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate

methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate (PubChem CID 66922402) has the molecular formula C23H25BrN4O6 and a molecular weight of 533.38 g/mol. Its IUPAC name is methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
PubChem CID66922402
Molecular FormulaC23H25BrN4O6
Molecular Weight533.38 g/mol
Exact Mass532.10
IUPAC Namemethyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2n(CC(=O)N3CC(C)OC(C)C3)cc(Br)n2c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H25BrN4O6/c1-14-9-26(10-15(2)34-14)18(29)12-27-11-17(24)28-21(30)20(19(22(31)32-3)25-23(27)28)33-13-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3
InChIKeyKRWWZOLXINPOPI-UHFFFAOYSA-N
XLogP2.26
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 58126984
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
CID 66922584
6-butoxy-1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidine-7-carbothioic S-acid
CID 88973538
7-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one
CID 163728736
5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 58126863
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 94155096
2-[[2-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-5-fluorobenzamide
CID 58127013
2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidin-7-yl]-1,3-thiazol-5-yl]methyl]-5-fluorobenzoic acid
CID 91147021
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86637145
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate (CID 66922402) is methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate is COC(=O)c1nc2n(CC(=O)N3CC(C)OC(C)C3)cc(Br)n2c(=O)c1OCc1ccccc1.
What is the InChIKey of methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is KRWWZOLXINPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O6/c1-14-9-26(10-15(2)34-14)18(29)12-27-11-17(24)28-21(30)20(19(22(31)32-3)25-23(27)28)33-13-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3.
What are the key properties of methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate?
methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 533.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 66922402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).