ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C16H17N3O4 — CID 11823208

IUPACethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccc(OC)cc1)CC2
InChIInChI=1S/C16H17N3O4/c1-3-23-15(21)13-10-18-8-9-19(16(18)17-14(13)20)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJJXKAGRZOHMMBT-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.58
Rot. Bonds4

About ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 11823208) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID11823208
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Nameethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccc(OC)cc1)CC2
InChIInChI=1S/C16H17N3O4/c1-3-23-15(21)13-10-18-8-9-19(16(18)17-14(13)20)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJJXKAGRZOHMMBT-UHFFFAOYSA-N
XLogP1.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11810355
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(4-methoxyphenyl)-4-piperidin-1-ylbenzoate
CID 139893198
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029
ethyl 5-[bis(methylsulfonyl)amino]-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 10526009
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
ethyl 6-[4-[(2-bromoacetyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 58618147

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 11823208) is ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2c(nc1=O)N(c1ccc(OC)cc1)CC2.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is JJXKAGRZOHMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-15(21)13-10-18-8-9-19(16(18)17-14(13)20)11-4-6-12(22-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 11823208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).