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

C13H12N2O2 — CID 5071374

IUPAC3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCC(C)n1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C13H12N2O2/c1-8(2)15-7-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-8H,1-2H3
InChIKeyTWXRENQYDRTNFA-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.72
Rot. Bonds1

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

3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 5071374) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID5071374
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCC(C)n1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C13H12N2O2/c1-8(2)15-7-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-8H,1-2H3
InChIKeyTWXRENQYDRTNFA-UHFFFAOYSA-N
XLogP2.72
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 5071374) is 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one is CC(C)n1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is TWXRENQYDRTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8(2)15-7-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-8H,1-2H3.
What are the key properties of 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 5071374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).