9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine

C13H20N6O — CID 103533908

IUPAC9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
SMILESCOC1CCN(CCCn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C13H20N6O/c1-20-10-3-6-18(7-10)4-2-5-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16)
InChIKeyNXCWPPDMJISTER-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.52
Rot. Bonds5

About 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine

9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine (PubChem CID 103533908) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
PubChem CID103533908
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
SMILESCOC1CCN(CCCn2cnc3c(N)ncnc32)C1
InChIInChI=1S/C13H20N6O/c1-20-10-3-6-18(7-10)4-2-5-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16)
InChIKeyNXCWPPDMJISTER-UHFFFAOYSA-N
XLogP0.52
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine (CID 103533908) is 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine is COC1CCN(CCCn2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine?
The InChIKey is NXCWPPDMJISTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-20-10-3-6-18(7-10)4-2-5-19-9-17-11-12(14)15-8-16-13(11)19/h8-10H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine?
9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine has a molecular weight of 276.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine is sourced from PubChem (CID 103533908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).