9-(3-methylbutyl)purine

C10H14N4 — CID 20771994

IUPAC9-(3-methylbutyl)purine
SMILESCC(C)CCn1cnc2cncnc21
InChIInChI=1S/C10H14N4/c1-8(2)3-4-14-7-13-9-5-11-6-12-10(9)14/h5-8H,3-4H2,1-2H3
InChIKeyMIBYXBBHOAJIHH-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.87
Rot. Bonds3

About 9-(3-methylbutyl)purine

9-(3-methylbutyl)purine (PubChem CID 20771994) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 9-(3-methylbutyl)purine.

Molecular Properties

Compound Name9-(3-methylbutyl)purine
PubChem CID20771994
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name9-(3-methylbutyl)purine
SMILESCC(C)CCn1cnc2cncnc21
InChIInChI=1S/C10H14N4/c1-8(2)3-4-14-7-13-9-5-11-6-12-10(9)14/h5-8H,3-4H2,1-2H3
InChIKeyMIBYXBBHOAJIHH-UHFFFAOYSA-N
XLogP1.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutyl)purine?
The IUPAC name of 9-(3-methylbutyl)purine (CID 20771994) is 9-(3-methylbutyl)purine.
What is the SMILES notation for 9-(3-methylbutyl)purine?
The canonical SMILES for 9-(3-methylbutyl)purine is CC(C)CCn1cnc2cncnc21.
What is the InChIKey of 9-(3-methylbutyl)purine?
The InChIKey is MIBYXBBHOAJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)3-4-14-7-13-9-5-11-6-12-10(9)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 9-(3-methylbutyl)purine?
9-(3-methylbutyl)purine has a molecular weight of 190.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutyl)purine is sourced from PubChem (CID 20771994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).