9-(3-methylbut-2-enyl)purin-6-amine

C10H13N5 — CID 10655770

IUPAC9-(3-methylbut-2-enyl)purin-6-amine
SMILESCC(C)=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13)
InChIKeyQHLQYTNMSXEBIQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.37
Rot. Bonds2

About 9-(3-methylbut-2-enyl)purin-6-amine

9-(3-methylbut-2-enyl)purin-6-amine (PubChem CID 10655770) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 9-(3-methylbut-2-enyl)purin-6-amine.

Molecular Properties

Compound Name9-(3-methylbut-2-enyl)purin-6-amine
PubChem CID10655770
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name9-(3-methylbut-2-enyl)purin-6-amine
SMILESCC(C)=CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13)
InChIKeyQHLQYTNMSXEBIQ-UHFFFAOYSA-N
XLogP1.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbut-2-enyl)purin-6-amine?
The IUPAC name of 9-(3-methylbut-2-enyl)purin-6-amine (CID 10655770) is 9-(3-methylbut-2-enyl)purin-6-amine.
What is the SMILES notation for 9-(3-methylbut-2-enyl)purin-6-amine?
The canonical SMILES for 9-(3-methylbut-2-enyl)purin-6-amine is CC(C)=CCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-(3-methylbut-2-enyl)purin-6-amine?
The InChIKey is QHLQYTNMSXEBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13).
What are the key properties of 9-(3-methylbut-2-enyl)purin-6-amine?
9-(3-methylbut-2-enyl)purin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbut-2-enyl)purin-6-amine is sourced from PubChem (CID 10655770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).