ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate

C17H17N3O3 — CID 78426395

IUPACethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccccc3)nc12
InChIInChI=1S/C17H17N3O3/c1-3-23-16(22)11-19-12(2)9-15(21)20-10-14(18-17(19)20)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyMFZJHRFHPSKLLP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.03
Rot. Bonds4

About ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate

ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate (PubChem CID 78426395) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate
PubChem CID78426395
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccccc3)nc12
InChIInChI=1S/C17H17N3O3/c1-3-23-16(22)11-19-12(2)9-15(21)20-10-14(18-17(19)20)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyMFZJHRFHPSKLLP-UHFFFAOYSA-N
XLogP2.03
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate?
The IUPAC name of ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate (CID 78426395) is ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate?
The canonical SMILES for ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate is CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccccc3)nc12.
What is the InChIKey of ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate?
The InChIKey is MFZJHRFHPSKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-23-16(22)11-19-12(2)9-15(21)20-10-14(18-17(19)20)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate?
ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate has a molecular weight of 311.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-5-oxo-2-phenylimidazo[1,2-a]pyrimidin-8-yl)acetate is sourced from PubChem (CID 78426395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).