8-(3-methylbut-3-enyl)-7H-purin-6-amine

C10H13N5 — CID 155026179

IUPAC8-(3-methylbut-3-enyl)-7H-purin-6-amine
SMILESC=C(C)CCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H13N5/c1-6(2)3-4-7-14-8-9(11)12-5-13-10(8)15-7/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15)
InChIKeyKDTQHUMQXPHRLC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.44
Rot. Bonds3

About 8-(3-methylbut-3-enyl)-7H-purin-6-amine

8-(3-methylbut-3-enyl)-7H-purin-6-amine (PubChem CID 155026179) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 8-(3-methylbut-3-enyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-methylbut-3-enyl)-7H-purin-6-amine
PubChem CID155026179
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name8-(3-methylbut-3-enyl)-7H-purin-6-amine
SMILESC=C(C)CCc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H13N5/c1-6(2)3-4-7-14-8-9(11)12-5-13-10(8)15-7/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15)
InChIKeyKDTQHUMQXPHRLC-UHFFFAOYSA-N
XLogP1.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-(3-methylbut-3-enyl)-7H-purin-6-amine?
The IUPAC name of 8-(3-methylbut-3-enyl)-7H-purin-6-amine (CID 155026179) is 8-(3-methylbut-3-enyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-methylbut-3-enyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-methylbut-3-enyl)-7H-purin-6-amine is C=C(C)CCc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(3-methylbut-3-enyl)-7H-purin-6-amine?
The InChIKey is KDTQHUMQXPHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)3-4-7-14-8-9(11)12-5-13-10(8)15-7/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15).
What are the key properties of 8-(3-methylbut-3-enyl)-7H-purin-6-amine?
8-(3-methylbut-3-enyl)-7H-purin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-3-enyl)-7H-purin-6-amine is sourced from PubChem (CID 155026179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).