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

C12H10N2O2 — CID 135420405

IUPAC2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCc1nc2c(oc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H10N2O2/c1-2-9-13-10-7-5-3-4-6-8(7)16-11(10)12(15)14-9/h3-6H,2H2,1H3,(H,13,14,15)
InChIKeyMKBGYAFFDQAUNU-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.23
Rot. Bonds1

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

2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135420405) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135420405
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCc1nc2c(oc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H10N2O2/c1-2-9-13-10-7-5-3-4-6-8(7)16-11(10)12(15)14-9/h3-6H,2H2,1H3,(H,13,14,15)
InChIKeyMKBGYAFFDQAUNU-UHFFFAOYSA-N
XLogP2.23
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135420405) is 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is CCc1nc2c(oc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is MKBGYAFFDQAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-9-13-10-7-5-3-4-6-8(7)16-11(10)12(15)14-9/h3-6H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 214.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135420405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).