9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one

C15H15N5O — CID 135407136

IUPAC9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C15H15N5O/c21-15-12-14(20(9-17-12)11-3-1-2-4-11)18-13(19-15)10-5-7-16-8-6-10/h5-9,11H,1-4H2,(H,18,19,21)
InChIKeyFBZLWMIVGOONEC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.30
Rot. Bonds2

About 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one

9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one (PubChem CID 135407136) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one.

Molecular Properties

Compound Name9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one
PubChem CID135407136
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1ncn2C1CCCC1
InChIInChI=1S/C15H15N5O/c21-15-12-14(20(9-17-12)11-3-1-2-4-11)18-13(19-15)10-5-7-16-8-6-10/h5-9,11H,1-4H2,(H,18,19,21)
InChIKeyFBZLWMIVGOONEC-UHFFFAOYSA-N
XLogP2.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one?
The IUPAC name of 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one (CID 135407136) is 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one.
What is the SMILES notation for 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one?
The canonical SMILES for 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one is O=c1[nH]c(-c2ccncc2)nc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one?
The InChIKey is FBZLWMIVGOONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15-12-14(20(9-17-12)11-3-1-2-4-11)18-13(19-15)10-5-7-16-8-6-10/h5-9,11H,1-4H2,(H,18,19,21).
What are the key properties of 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one?
9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one has a molecular weight of 281.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one is sourced from PubChem (CID 135407136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).