2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane

C14H24ClN5 — CID 142498294

IUPAC2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane
SMILESCC.CC.Cn1cnc2nc(Cl)nc(N3CCCC3)c21
InChIInChI=1S/C10H12ClN5.2C2H6/c1-15-6-12-8-7(15)9(14-10(11)13-8)16-4-2-3-5-16;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyXWARKHOYJPUMIE-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.67
Rot. Bonds1

About 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane

2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane (PubChem CID 142498294) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane.

Molecular Properties

Compound Name2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane
PubChem CID142498294
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane
SMILESCC.CC.Cn1cnc2nc(Cl)nc(N3CCCC3)c21
InChIInChI=1S/C10H12ClN5.2C2H6/c1-15-6-12-8-7(15)9(14-10(11)13-8)16-4-2-3-5-16;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyXWARKHOYJPUMIE-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane?
The IUPAC name of 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane (CID 142498294) is 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane.
What is the SMILES notation for 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane?
The canonical SMILES for 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane is CC.CC.Cn1cnc2nc(Cl)nc(N3CCCC3)c21.
What is the InChIKey of 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane?
The InChIKey is XWARKHOYJPUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5.2C2H6/c1-15-6-12-8-7(15)9(14-10(11)13-8)16-4-2-3-5-16;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane?
2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane has a molecular weight of 297.83 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane is sourced from PubChem (CID 142498294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).