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

C15H19N5OS — CID 19822706

IUPAC[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESNc1nc(SC2CCC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C15H19N5OS/c16-15-18-13-12(14(19-15)22-11-2-1-3-11)17-8-20(13)10-5-4-9(6-10)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19)
InChIKeyQUBFSQRMGGMJDC-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.16
Rot. Bonds4

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

[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol (PubChem CID 19822706) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
PubChem CID19822706
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESNc1nc(SC2CCC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C15H19N5OS/c16-15-18-13-12(14(19-15)22-11-2-1-3-11)17-8-20(13)10-5-4-9(6-10)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19)
InChIKeyQUBFSQRMGGMJDC-UHFFFAOYSA-N
XLogP2.16
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797601
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 137385142
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
[(1S,4R)-4-(2-amino-6-butylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797300
[4-(2-amino-6-butylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822747
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646989
[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 19822746
2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purine-6-carboxylic acid
CID 156545301
[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
CID 156801971
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrate;dihydrobromide
CID 67082550

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol (CID 19822706) is [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol is Nc1nc(SC2CCC2)c2ncn(C3C=CC(CO)C3)c2n1.
What is the InChIKey of [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
The InChIKey is QUBFSQRMGGMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-15-18-13-12(14(19-15)22-11-2-1-3-11)17-8-20(13)10-5-4-9(6-10)7-21/h4-5,8-11,21H,1-3,6-7H2,(H2,16,18,19).
What are the key properties of [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol?
[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol has a molecular weight of 317.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 19822706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).