7-butan-2-yl-8,9-dihydropurine

C9H14N4 — CID 89364647

IUPAC7-butan-2-yl-8,9-dihydropurine
SMILESCCC(C)N1CNc2ncncc21
InChIInChI=1S/C9H14N4/c1-3-7(2)13-6-12-9-8(13)4-10-5-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyVDDKSODVINEFOG-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.46
Rot. Bonds2

About 7-butan-2-yl-8,9-dihydropurine

7-butan-2-yl-8,9-dihydropurine (PubChem CID 89364647) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 7-butan-2-yl-8,9-dihydropurine.

Molecular Properties

Compound Name7-butan-2-yl-8,9-dihydropurine
PubChem CID89364647
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name7-butan-2-yl-8,9-dihydropurine
SMILESCCC(C)N1CNc2ncncc21
InChIInChI=1S/C9H14N4/c1-3-7(2)13-6-12-9-8(13)4-10-5-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyVDDKSODVINEFOG-UHFFFAOYSA-N
XLogP1.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-8,9-dihydropurine?
The IUPAC name of 7-butan-2-yl-8,9-dihydropurine (CID 89364647) is 7-butan-2-yl-8,9-dihydropurine.
What is the SMILES notation for 7-butan-2-yl-8,9-dihydropurine?
The canonical SMILES for 7-butan-2-yl-8,9-dihydropurine is CCC(C)N1CNc2ncncc21.
What is the InChIKey of 7-butan-2-yl-8,9-dihydropurine?
The InChIKey is VDDKSODVINEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-7(2)13-6-12-9-8(13)4-10-5-11-9/h4-5,7H,3,6H2,1-2H3,(H,10,11,12).
What are the key properties of 7-butan-2-yl-8,9-dihydropurine?
7-butan-2-yl-8,9-dihydropurine has a molecular weight of 178.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-8,9-dihydropurine is sourced from PubChem (CID 89364647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).