[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane

C17H26N6O — CID 156801971

IUPAC[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
SMILESCC.Nc1nc(N2CCCC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C15H20N6O.C2H6/c16-15-18-13(20-5-1-2-6-20)12-14(19-15)21(9-17-12)11-4-3-10(7-11)8-22;1-2/h3-4,9-11,22H,1-2,5-8H2,(H2,16,18,19);1-2H3
InChIKeyLRHYSZFORHUYIQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.14
Rot. Bonds3

About [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane

[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane (PubChem CID 156801971) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane.

Molecular Properties

Compound Name[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
PubChem CID156801971
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
SMILESCC.Nc1nc(N2CCCC2)c2ncn(C3C=CC(CO)C3)c2n1
InChIInChI=1S/C15H20N6O.C2H6/c16-15-18-13(20-5-1-2-6-20)12-14(19-15)21(9-17-12)11-4-3-10(7-11)8-22;1-2/h3-4,9-11,22H,1-2,5-8H2,(H2,16,18,19);1-2H3
InChIKeyLRHYSZFORHUYIQ-UHFFFAOYSA-N
XLogP2.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.14
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

[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
CID 156801960
[(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
[(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
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 137385142
[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 57063501
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
[(1S,4R)-4-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]cyclopent-2-en-1-yl]methanol
CID 171382578
[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822706

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane?
The IUPAC name of [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane (CID 156801971) is [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane.
What is the SMILES notation for [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane?
The canonical SMILES for [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane is CC.Nc1nc(N2CCCC2)c2ncn(C3C=CC(CO)C3)c2n1.
What is the InChIKey of [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane?
The InChIKey is LRHYSZFORHUYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.C2H6/c16-15-18-13(20-5-1-2-6-20)12-14(19-15)21(9-17-12)11-4-3-10(7-11)8-22;1-2/h3-4,9-11,22H,1-2,5-8H2,(H2,16,18,19);1-2H3.
What are the key properties of [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane?
[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane has a molecular weight of 330.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane is sourced from PubChem (CID 156801971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).