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

C14H14N2O2 — CID 5071375

IUPAC3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H14N2O2/c1-2-3-8-16-9-15-12-10-6-4-5-7-11(10)18-13(12)14(16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyZZZMUKMURDIYLU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.94
Rot. Bonds3

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

3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 5071375) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID5071375
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H14N2O2/c1-2-3-8-16-9-15-12-10-6-4-5-7-11(10)18-13(12)14(16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyZZZMUKMURDIYLU-UHFFFAOYSA-N
XLogP2.94
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 5071375) is 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one is CCCCn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is ZZZMUKMURDIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-3-8-16-9-15-12-10-6-4-5-7-11(10)18-13(12)14(16)17/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 5071375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).