3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione

C14H23N5O2 — CID 78204191

IUPAC3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-9(2)8-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-6-4-5-7-18/h9-11H,4-8H2,1-3H3,(H,16,20,21)
InChIKeyJFMSTAOTCFCEDT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.29
Rot. Bonds2

About 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione

3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78204191) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78204191
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O2/c1-9(2)8-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-6-4-5-7-18/h9-11H,4-8H2,1-3H3,(H,16,20,21)
InChIKeyJFMSTAOTCFCEDT-UHFFFAOYSA-N
XLogP0.29
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione (CID 78204191) is 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione is CC(C)CN1C(N2CCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is JFMSTAOTCFCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)8-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-6-4-5-7-18/h9-11H,4-8H2,1-3H3,(H,16,20,21).
What are the key properties of 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione?
3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78204191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).