2-butylimino-3,5-dihydropurin-6-amine

C9H14N6 — CID 135754499

IUPAC2-butylimino-3,5-dihydropurin-6-amine
SMILESCCCC/N=C1\N=C(N)C2N=CN=C2N1
InChIInChI=1S/C9H14N6/c1-2-3-4-11-9-14-7(10)6-8(15-9)13-5-12-6/h5-6H,2-4H2,1H3,(H3,10,11,12,13,14,15)
InChIKeyLLQYXGLBMUPYPC-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.09
Rot. Bonds3

About 2-butylimino-3,5-dihydropurin-6-amine

2-butylimino-3,5-dihydropurin-6-amine (PubChem CID 135754499) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-butylimino-3,5-dihydropurin-6-amine.

Molecular Properties

Compound Name2-butylimino-3,5-dihydropurin-6-amine
PubChem CID135754499
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-butylimino-3,5-dihydropurin-6-amine
SMILESCCCC/N=C1\N=C(N)C2N=CN=C2N1
InChIInChI=1S/C9H14N6/c1-2-3-4-11-9-14-7(10)6-8(15-9)13-5-12-6/h5-6H,2-4H2,1H3,(H3,10,11,12,13,14,15)
InChIKeyLLQYXGLBMUPYPC-UHFFFAOYSA-N
XLogP-0.09
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-3,5-dihydropurin-6-amine?
The IUPAC name of 2-butylimino-3,5-dihydropurin-6-amine (CID 135754499) is 2-butylimino-3,5-dihydropurin-6-amine.
What is the SMILES notation for 2-butylimino-3,5-dihydropurin-6-amine?
The canonical SMILES for 2-butylimino-3,5-dihydropurin-6-amine is CCCC/N=C1\N=C(N)C2N=CN=C2N1.
What is the InChIKey of 2-butylimino-3,5-dihydropurin-6-amine?
The InChIKey is LLQYXGLBMUPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-3-4-11-9-14-7(10)6-8(15-9)13-5-12-6/h5-6H,2-4H2,1H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-butylimino-3,5-dihydropurin-6-amine?
2-butylimino-3,5-dihydropurin-6-amine has a molecular weight of 206.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-3,5-dihydropurin-6-amine is sourced from PubChem (CID 135754499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).