7-butan-2-ylpurin-6-amine

C9H13N5 — CID 44572294

IUPAC7-butan-2-ylpurin-6-amine
SMILESCCC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C9H13N5/c1-3-6(2)14-5-13-9-7(14)8(10)11-4-12-9/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBGOHKQUJUJKDHS-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.38
Rot. Bonds2

About 7-butan-2-ylpurin-6-amine

7-butan-2-ylpurin-6-amine (PubChem CID 44572294) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 7-butan-2-ylpurin-6-amine.

Molecular Properties

Compound Name7-butan-2-ylpurin-6-amine
PubChem CID44572294
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name7-butan-2-ylpurin-6-amine
SMILESCCC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C9H13N5/c1-3-6(2)14-5-13-9-7(14)8(10)11-4-12-9/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyBGOHKQUJUJKDHS-UHFFFAOYSA-N
XLogP1.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-ylpurin-6-amine?
The IUPAC name of 7-butan-2-ylpurin-6-amine (CID 44572294) is 7-butan-2-ylpurin-6-amine.
What is the SMILES notation for 7-butan-2-ylpurin-6-amine?
The canonical SMILES for 7-butan-2-ylpurin-6-amine is CCC(C)n1cnc2ncnc(N)c21.
What is the InChIKey of 7-butan-2-ylpurin-6-amine?
The InChIKey is BGOHKQUJUJKDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-6(2)14-5-13-9-7(14)8(10)11-4-12-9/h4-6H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 7-butan-2-ylpurin-6-amine?
7-butan-2-ylpurin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-ylpurin-6-amine is sourced from PubChem (CID 44572294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).