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

C15H14N2O2 — CID 43955398

IUPAC3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1C1CCCC1
InChIInChI=1S/C15H14N2O2/c18-15-14-13(11-7-3-4-8-12(11)19-14)16-9-17(15)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChIKeyZLQNJPDZPFOMMG-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.26
Rot. Bonds1

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

3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 43955398) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID43955398
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1c2oc3ccccc3c2ncn1C1CCCC1
InChIInChI=1S/C15H14N2O2/c18-15-14-13(11-7-3-4-8-12(11)19-14)16-9-17(15)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChIKeyZLQNJPDZPFOMMG-UHFFFAOYSA-N
XLogP3.26
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 136524706
3-cyclobutylquinazolin-4-one
CID 171781936
N-(cyclohexylcarbamoyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808344
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119620632
3-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 55507558
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446
3-cyclopentyl-1,3-benzoxazine-2,4-dione
CID 10331456
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119633290
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119380116
N-(2-cyclopentylsulfanylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 32560053
N-cyclopentyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 28542618
N-(2-amino-1-cyclohexylethyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide;hydrochloride
CID 119591014

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 43955398) is 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1c2oc3ccccc3c2ncn1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is ZLQNJPDZPFOMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15-14-13(11-7-3-4-8-12(11)19-14)16-9-17(15)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 43955398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).