ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

C27H27N3O6 — CID 118631114

IUPACethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C(C)C(=O)c2ccc(OC)cc2)c2nc(-c3ccc(OC)cc3)c(C)n2c1=O
InChIInChI=1S/C27H27N3O6/c1-6-36-26(33)22-15-29(17(3)24(31)19-9-13-21(35-5)14-10-19)27-28-23(16(2)30(27)25(22)32)18-7-11-20(34-4)12-8-18/h7-15,17H,6H2,1-5H3
InChIKeyWQOIMLHWGAKMTH-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.11
Rot. Bonds8

About ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 118631114) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID118631114
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Nameethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(C(C)C(=O)c2ccc(OC)cc2)c2nc(-c3ccc(OC)cc3)c(C)n2c1=O
InChIInChI=1S/C27H27N3O6/c1-6-36-26(33)22-15-29(17(3)24(31)19-9-13-21(35-5)14-10-19)27-28-23(16(2)30(27)25(22)32)18-7-11-20(34-4)12-8-18/h7-15,17H,6H2,1-5H3
InChIKeyWQOIMLHWGAKMTH-UHFFFAOYSA-N
XLogP4.11
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate (CID 118631114) is ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn(C(C)C(=O)c2ccc(OC)cc2)c2nc(-c3ccc(OC)cc3)c(C)n2c1=O.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is WQOIMLHWGAKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-6-36-26(33)22-15-29(17(3)24(31)19-9-13-21(35-5)14-10-19)27-28-23(16(2)30(27)25(22)32)18-7-11-20(34-4)12-8-18/h7-15,17H,6H2,1-5H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 489.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-8-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methyl-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 118631114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).