3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one

C15H9N3O2 — CID 654596

IUPAC3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn2cccnc2n1
InChIInChI=1S/C15H9N3O2/c19-14-11(8-10-4-1-2-5-13(10)20-14)12-9-18-7-3-6-16-15(18)17-12/h1-9H
InChIKeyREOYRGRFFIRARM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.50
Rot. Bonds1

About 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one

3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one (PubChem CID 654596) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one
PubChem CID654596
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn2cccnc2n1
InChIInChI=1S/C15H9N3O2/c19-14-11(8-10-4-1-2-5-13(10)20-14)12-9-18-7-3-6-16-15(18)17-12/h1-9H
InChIKeyREOYRGRFFIRARM-UHFFFAOYSA-N
XLogP2.50
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one (CID 654596) is 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one is O=c1oc2ccccc2cc1-c1cn2cccnc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one?
The InChIKey is REOYRGRFFIRARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-14-11(8-10-4-1-2-5-13(10)20-14)12-9-18-7-3-6-16-15(18)17-12/h1-9H.
What are the key properties of 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one?
3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one has a molecular weight of 263.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one is sourced from PubChem (CID 654596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).