9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine

C15H24N6 — CID 115688477

IUPAC9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
SMILESCC(C)C1CCN(CCCn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C15H24N6/c1-11(2)12-4-7-20(8-12)5-3-6-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyOQMDOQHHVXMLCN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.78
Rot. Bonds5

About 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine

9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine (PubChem CID 115688477) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
PubChem CID115688477
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
SMILESCC(C)C1CCN(CCCn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C15H24N6/c1-11(2)12-4-7-20(8-12)5-3-6-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18)
InChIKeyOQMDOQHHVXMLCN-UHFFFAOYSA-N
XLogP1.78
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine (CID 115688477) is 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine is CC(C)C1CCN(CCCn2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine?
The InChIKey is OQMDOQHHVXMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11(2)12-4-7-20(8-12)5-3-6-21-10-19-13-14(16)17-9-18-15(13)21/h9-12H,3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine?
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine has a molecular weight of 288.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine is sourced from PubChem (CID 115688477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).