9-butan-2-yl-6-methylpurine

C10H14N4 — CID 166765034

IUPAC9-butan-2-yl-6-methylpurine
SMILESCCC(C)n1cnc2c(C)ncnc21
InChIInChI=1S/C10H14N4/c1-4-7(2)14-6-13-9-8(3)11-5-12-10(9)14/h5-7H,4H2,1-3H3
InChIKeyBGVZICCADQBQGU-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.11
Rot. Bonds2

About 9-butan-2-yl-6-methylpurine

9-butan-2-yl-6-methylpurine (PubChem CID 166765034) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 9-butan-2-yl-6-methylpurine.

Molecular Properties

Compound Name9-butan-2-yl-6-methylpurine
PubChem CID166765034
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name9-butan-2-yl-6-methylpurine
SMILESCCC(C)n1cnc2c(C)ncnc21
InChIInChI=1S/C10H14N4/c1-4-7(2)14-6-13-9-8(3)11-5-12-10(9)14/h5-7H,4H2,1-3H3
InChIKeyBGVZICCADQBQGU-UHFFFAOYSA-N
XLogP2.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-6-methylpurine?
The IUPAC name of 9-butan-2-yl-6-methylpurine (CID 166765034) is 9-butan-2-yl-6-methylpurine.
What is the SMILES notation for 9-butan-2-yl-6-methylpurine?
The canonical SMILES for 9-butan-2-yl-6-methylpurine is CCC(C)n1cnc2c(C)ncnc21.
What is the InChIKey of 9-butan-2-yl-6-methylpurine?
The InChIKey is BGVZICCADQBQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-7(2)14-6-13-9-8(3)11-5-12-10(9)14/h5-7H,4H2,1-3H3.
What are the key properties of 9-butan-2-yl-6-methylpurine?
9-butan-2-yl-6-methylpurine has a molecular weight of 190.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-6-methylpurine is sourced from PubChem (CID 166765034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).