ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C16H17N3O3 — CID 3072201

IUPACethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CC(c1ccccc1)N2C
InChIInChI=1S/C16H17N3O3/c1-3-22-15(21)12-9-17-16-18(2)13(10-19(16)14(12)20)11-7-5-4-6-8-11/h4-9,13H,3,10H2,1-2H3
InChIKeyMOTPHZGSXYGCEL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.61
Rot. Bonds3

About ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 3072201) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID3072201
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)CC(c1ccccc1)N2C
InChIInChI=1S/C16H17N3O3/c1-3-22-15(21)12-9-17-16-18(2)13(10-19(16)14(12)20)11-7-5-4-6-8-11/h4-9,13H,3,10H2,1-2H3
InChIKeyMOTPHZGSXYGCEL-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 3072201) is ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2n(c1=O)CC(c1ccccc1)N2C.
What is the InChIKey of ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is MOTPHZGSXYGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-22-15(21)12-9-17-16-18(2)13(10-19(16)14(12)20)11-7-5-4-6-8-11/h4-9,13H,3,10H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3072201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).