9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one

C15H17N5O2 — CID 53181119

IUPAC9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one
SMILESCc1ccc(CN2CCC(n3c(=O)[nH]c4cncnc43)C2)o1
InChIInChI=1S/C15H17N5O2/c1-10-2-3-12(22-10)8-19-5-4-11(7-19)20-14-13(18-15(20)21)6-16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,21)
InChIKeyLRXCZJVSLDFGHR-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.47
Rot. Bonds3

About 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one

9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one (PubChem CID 53181119) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one.

Molecular Properties

Compound Name9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one
PubChem CID53181119
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one
SMILESCc1ccc(CN2CCC(n3c(=O)[nH]c4cncnc43)C2)o1
InChIInChI=1S/C15H17N5O2/c1-10-2-3-12(22-10)8-19-5-4-11(7-19)20-14-13(18-15(20)21)6-16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,21)
InChIKeyLRXCZJVSLDFGHR-UHFFFAOYSA-N
XLogP1.47
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one?
The IUPAC name of 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one (CID 53181119) is 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one.
What is the SMILES notation for 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one?
The canonical SMILES for 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one is Cc1ccc(CN2CCC(n3c(=O)[nH]c4cncnc43)C2)o1.
What is the InChIKey of 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one?
The InChIKey is LRXCZJVSLDFGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-2-3-12(22-10)8-19-5-4-11(7-19)20-14-13(18-15(20)21)6-16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,21).
What are the key properties of 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one?
9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one has a molecular weight of 299.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-7H-purin-8-one is sourced from PubChem (CID 53181119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).