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

C13H12N2O2 — CID 5071373

IUPAC3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C13H12N2O2/c1-2-7-15-8-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-6,8H,2,7H2,1H3
InChIKeyFYCGJANXNXZCDC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.55
Rot. Bonds2

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

3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 5071373) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID5071373
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2c(oc3ccccc32)c1=O
InChIInChI=1S/C13H12N2O2/c1-2-7-15-8-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-6,8H,2,7H2,1H3
InChIKeyFYCGJANXNXZCDC-UHFFFAOYSA-N
XLogP2.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 135415469
4-Oxobenzofuro[3,2-d]pyrimidine-3(4H)-acetic acid
CID 4962437
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
8-Bromanyl-2-[(4-Methylpiperazin-1-Yl)methyl]-3h-[1]benzofuro[3,2-D]pyrimidin-4-One
CID 135566647
2-(Hydroxymethyl)benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135412539
2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135420405
8-Bromo[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135461314
8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135404025
3-Aminobenzofuran-2-carboxamide
CID 600546
3-(2,5-dimethylbenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 4048778
3-(3-chlorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 4048782
N-(3-methylbutan-2-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808373

Frequently Asked Questions

What is the IUPAC name of 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 5071373) is 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one is CCCn1cnc2c(oc3ccccc32)c1=O.
What is the InChIKey of 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is FYCGJANXNXZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-7-15-8-14-11-9-5-3-4-6-10(9)17-12(11)13(15)16/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 5071373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).