ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C16H17N3O3 — CID 139230217

IUPACethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCN2c1ccccc1C
InChIInChI=1S/C16H17N3O3/c1-3-22-15(21)12-10-17-16-18(8-9-19(16)14(12)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGGBJVKXBJBADGL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 139230217) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID139230217
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CCN2c1ccccc1C
InChIInChI=1S/C16H17N3O3/c1-3-22-15(21)12-10-17-16-18(8-9-19(16)14(12)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGGBJVKXBJBADGL-UHFFFAOYSA-N
XLogP1.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709
ethyl 2-(2-methylphenyl)-4-oxo-3H-pyrazole-5-carboxylate
CID 53215482
ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxylate
CID 7748721
triethyl 1-(2-methylphenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 162715184
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 118006121
ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl 2-benzylsulfanyl-1-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidine-5-carboxylate
CID 7748722
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl (9Z)-9-(2-ethoxy-1-hydroxy-2-oxoethylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 177476049
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate
CID 7748770

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 139230217) is ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2n(c1=O)CCN2c1ccccc1C.
What is the InChIKey of ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is GGBJVKXBJBADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-22-15(21)12-10-17-16-18(8-9-19(16)14(12)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 139230217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).