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

C10H6N2O2 — CID 135415469

IUPAC3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1oc1ccccc12
InChIInChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)
InChIKeyPCCWPSFTRGJXEF-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.67
Rot. Bonds

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

3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135415469) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135415469
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1oc1ccccc12
InChIInChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)
InChIKeyPCCWPSFTRGJXEF-UHFFFAOYSA-N
XLogP1.67
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135415469) is 3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c1oc1ccccc12.
What is the InChIKey of 3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is PCCWPSFTRGJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13).
What are the key properties of 3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 186.17 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135415469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).