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

C12H15N5OS — CID 67797601

IUPAC[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESCSc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C12H15N5OS/c1-19-11-9-10(15-12(13)16-11)17(6-14-9)8-3-2-7(4-8)5-18/h2-3,6-8,18H,4-5H2,1H3,(H2,13,15,16)/t7-,8+/m1/s1
InChIKeyPQNJVTOQOVXZMZ-SFYZADRCSA-N
MW277.35 g/mol
LogP1.24
Rot. Bonds3

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

[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol (PubChem CID 67797601) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
PubChem CID67797601
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESCSc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C12H15N5OS/c1-19-11-9-10(15-12(13)16-11)17(6-14-9)8-3-2-7(4-8)5-18/h2-3,6-8,18H,4-5H2,1H3,(H2,13,15,16)/t7-,8+/m1/s1
InChIKeyPQNJVTOQOVXZMZ-SFYZADRCSA-N
XLogP1.24
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol (CID 67797601) is [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol is CSc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The InChIKey is PQNJVTOQOVXZMZ-SFYZADRCSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-19-11-9-10(15-12(13)16-11)17(6-14-9)8-3-2-7(4-8)5-18/h2-3,6-8,18H,4-5H2,1H3,(H2,13,15,16)/t7-,8+/m1/s1.
What are the key properties of [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol has a molecular weight of 277.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 67797601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).