3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one

C12H10N2O2 — CID 5071372

IUPAC3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C12H10N2O2/c1-2-14-7-13-10-8-5-3-4-6-9(8)16-11(10)12(14)15/h3-7H,2H2,1H3
InChIKeyVOVYUWDQGMATDV-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.16
Rot. Bonds1

About 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one

3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 5071372) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID5071372
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C12H10N2O2/c1-2-14-7-13-10-8-5-3-4-6-9(8)16-11(10)12(14)15/h3-7H,2H2,1H3
InChIKeyVOVYUWDQGMATDV-UHFFFAOYSA-N
XLogP2.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 5071372) is 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one is CCn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is VOVYUWDQGMATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-14-7-13-10-8-5-3-4-6-9(8)16-11(10)12(14)15/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 5071372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).