9-butan-2-yl-N,N-dimethylpurin-2-amine

C11H17N5 — CID 142386497

IUPAC9-butan-2-yl-N,N-dimethylpurin-2-amine
SMILESCCC(C)n1cnc2cnc(N(C)C)nc21
InChIInChI=1S/C11H17N5/c1-5-8(2)16-7-13-9-6-12-11(15(3)4)14-10(9)16/h6-8H,5H2,1-4H3
InChIKeyJVWMLYXJYCIMBJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.86
Rot. Bonds3

About 9-butan-2-yl-N,N-dimethylpurin-2-amine

9-butan-2-yl-N,N-dimethylpurin-2-amine (PubChem CID 142386497) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 9-butan-2-yl-N,N-dimethylpurin-2-amine.

Molecular Properties

Compound Name9-butan-2-yl-N,N-dimethylpurin-2-amine
PubChem CID142386497
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name9-butan-2-yl-N,N-dimethylpurin-2-amine
SMILESCCC(C)n1cnc2cnc(N(C)C)nc21
InChIInChI=1S/C11H17N5/c1-5-8(2)16-7-13-9-6-12-11(15(3)4)14-10(9)16/h6-8H,5H2,1-4H3
InChIKeyJVWMLYXJYCIMBJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-N,N-dimethylpurin-2-amine?
The IUPAC name of 9-butan-2-yl-N,N-dimethylpurin-2-amine (CID 142386497) is 9-butan-2-yl-N,N-dimethylpurin-2-amine.
What is the SMILES notation for 9-butan-2-yl-N,N-dimethylpurin-2-amine?
The canonical SMILES for 9-butan-2-yl-N,N-dimethylpurin-2-amine is CCC(C)n1cnc2cnc(N(C)C)nc21.
What is the InChIKey of 9-butan-2-yl-N,N-dimethylpurin-2-amine?
The InChIKey is JVWMLYXJYCIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-5-8(2)16-7-13-9-6-12-11(15(3)4)14-10(9)16/h6-8H,5H2,1-4H3.
What are the key properties of 9-butan-2-yl-N,N-dimethylpurin-2-amine?
9-butan-2-yl-N,N-dimethylpurin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-N,N-dimethylpurin-2-amine is sourced from PubChem (CID 142386497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).