8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one

C19H23N5O2 — CID 52933190

IUPAC8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2ccc(C)nc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O2/c1-3-10-24-18(25)15-17(22-16(21-15)13-6-4-5-7-13)23-19(24)26-14-9-8-12(2)20-11-14/h8-9,11,13H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyOHTCVHZAHHDFRB-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.68
Rot. Bonds5

About 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one

8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one (PubChem CID 52933190) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
PubChem CID52933190
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one
SMILESCCCn1c(Oc2ccc(C)nc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O2/c1-3-10-24-18(25)15-17(22-16(21-15)13-6-4-5-7-13)23-19(24)26-14-9-8-12(2)20-11-14/h8-9,11,13H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyOHTCVHZAHHDFRB-UHFFFAOYSA-N
XLogP3.68
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The IUPAC name of 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one (CID 52933190) is 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The canonical SMILES for 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one is CCCn1c(Oc2ccc(C)nc2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
The InChIKey is OHTCVHZAHHDFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-10-24-18(25)15-17(22-16(21-15)13-6-4-5-7-13)23-19(24)26-14-9-8-12(2)20-11-14/h8-9,11,13H,3-7,10H2,1-2H3,(H,21,22).
What are the key properties of 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one?
8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one has a molecular weight of 353.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(6-methyl-3-pyridinyl)oxy]-1-propyl-7H-purin-6-one is sourced from PubChem (CID 52933190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).