[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol

C15H19N5O — CID 137385142

IUPAC[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESNc1nc(C2CCC2)c2ncn(C3C=C[C@@H](CO)C3)c2n1
InChIInChI=1S/C15H19N5O/c16-15-18-12(10-2-1-3-10)13-14(19-15)20(8-17-13)11-5-4-9(6-11)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19)/t9-,11?/m1/s1
InChIKeyIGVLDOQXSFVGAU-BFHBGLAWSA-N
MW285.35 g/mol
LogP1.79
Rot. Bonds3

About [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol

[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol (PubChem CID 137385142) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
PubChem CID137385142
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESNc1nc(C2CCC2)c2ncn(C3C=C[C@@H](CO)C3)c2n1
InChIInChI=1S/C15H19N5O/c16-15-18-12(10-2-1-3-10)13-14(19-15)20(8-17-13)11-5-4-9(6-11)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19)/t9-,11?/m1/s1
InChIKeyIGVLDOQXSFVGAU-BFHBGLAWSA-N
XLogP1.79
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol (CID 137385142) is [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol is Nc1nc(C2CCC2)c2ncn(C3C=C[C@@H](CO)C3)c2n1.
What is the InChIKey of [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The InChIKey is IGVLDOQXSFVGAU-BFHBGLAWSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15-18-12(10-2-1-3-10)13-14(19-15)20(8-17-13)11-5-4-9(6-11)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19)/t9-,11?/m1/s1.
What are the key properties of [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol has a molecular weight of 285.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 137385142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).