N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine

C10H13N5 — CID 22931529

IUPACN-(2-methylbut-3-en-2-yl)-7H-purin-8-amine
SMILESC=CC(C)(C)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C10H13N5/c1-4-10(2,3)15-9-13-7-5-11-6-12-8(7)14-9/h4-6H,1H2,2-3H3,(H2,11,12,13,14,15)
InChIKeyCMSGDMNCCQWQNH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.73
Rot. Bonds3

About N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine

N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine (PubChem CID 22931529) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine.

Molecular Properties

Compound NameN-(2-methylbut-3-en-2-yl)-7H-purin-8-amine
PubChem CID22931529
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-(2-methylbut-3-en-2-yl)-7H-purin-8-amine
SMILESC=CC(C)(C)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C10H13N5/c1-4-10(2,3)15-9-13-7-5-11-6-12-8(7)14-9/h4-6H,1H2,2-3H3,(H2,11,12,13,14,15)
InChIKeyCMSGDMNCCQWQNH-UHFFFAOYSA-N
XLogP1.73
TPSA66.49 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 ≤ 51.73
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 N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine?
The IUPAC name of N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine (CID 22931529) is N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine.
What is the SMILES notation for N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine?
The canonical SMILES for N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine is C=CC(C)(C)Nc1nc2ncncc2[nH]1.
What is the InChIKey of N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine?
The InChIKey is CMSGDMNCCQWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-4-10(2,3)15-9-13-7-5-11-6-12-8(7)14-9/h4-6H,1H2,2-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine?
N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine has a molecular weight of 203.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-en-2-yl)-7H-purin-8-amine is sourced from PubChem (CID 22931529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).