7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one

C15H21N5O2 — CID 166373770

IUPAC7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one
SMILESCn1cnc2nc(N3CCC(CC4CCOC4)C3)[nH]c(=O)c21
InChIInChI=1S/C15H21N5O2/c1-19-9-16-13-12(19)14(21)18-15(17-13)20-4-2-10(7-20)6-11-3-5-22-8-11/h9-11H,2-8H2,1H3,(H,17,18,21)
InChIKeyUUFNEMRJFYWVTR-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.91
Rot. Bonds3

About 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one

7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one (PubChem CID 166373770) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one.

Molecular Properties

Compound Name7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one
PubChem CID166373770
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one
SMILESCn1cnc2nc(N3CCC(CC4CCOC4)C3)[nH]c(=O)c21
InChIInChI=1S/C15H21N5O2/c1-19-9-16-13-12(19)14(21)18-15(17-13)20-4-2-10(7-20)6-11-3-5-22-8-11/h9-11H,2-8H2,1H3,(H,17,18,21)
InChIKeyUUFNEMRJFYWVTR-UHFFFAOYSA-N
XLogP0.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one?
The IUPAC name of 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one (CID 166373770) is 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one.
What is the SMILES notation for 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one?
The canonical SMILES for 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one is Cn1cnc2nc(N3CCC(CC4CCOC4)C3)[nH]c(=O)c21.
What is the InChIKey of 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one?
The InChIKey is UUFNEMRJFYWVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-9-16-13-12(19)14(21)18-15(17-13)20-4-2-10(7-20)6-11-3-5-22-8-11/h9-11H,2-8H2,1H3,(H,17,18,21).
What are the key properties of 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one?
7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one has a molecular weight of 303.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one is sourced from PubChem (CID 166373770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).