1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine

C11H15ClN6 — CID 118139230

IUPAC1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ncnc(Cl)c3[nH]2)C1
InChIInChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)11-15-8-9(12)13-6-14-10(8)16-11/h6-7H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyYLNOSGXDGMLHNC-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.15
Rot. Bonds2

About 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine

1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 118139230) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID118139230
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ncnc(Cl)c3[nH]2)C1
InChIInChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)11-15-8-9(12)13-6-14-10(8)16-11/h6-7H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyYLNOSGXDGMLHNC-UHFFFAOYSA-N
XLogP1.15
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine (CID 118139230) is 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc3ncnc(Cl)c3[nH]2)C1.
What is the InChIKey of 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is YLNOSGXDGMLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)11-15-8-9(12)13-6-14-10(8)16-11/h6-7H,3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 266.74 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 118139230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).