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

C13H18N6O — CID 19822746

IUPAC[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2C1C=CC(CO)C1
InChIInChI=1S/C13H18N6O/c1-18(2)11-10-12(17-13(14)16-11)19(7-15-10)9-4-3-8(5-9)6-20/h3-4,7-9,20H,5-6H2,1-2H3,(H2,14,16,17)
InChIKeyZRHWHCUSHGSMDV-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds3

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

[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 19822746) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID19822746
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2C1C=CC(CO)C1
InChIInChI=1S/C13H18N6O/c1-18(2)11-10-12(17-13(14)16-11)19(7-15-10)9-4-3-8(5-9)6-20/h3-4,7-9,20H,5-6H2,1-2H3,(H2,14,16,17)
InChIKeyZRHWHCUSHGSMDV-UHFFFAOYSA-N
XLogP0.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
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-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646989
[(1R,4S)-4-[2-amino-6-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 57063501
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
[(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
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-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]cyclopent-2-en-1-yl]methanol
CID 171382578
[(1S)-4-(2-amino-6-cyclobutylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 137385142
2-[[2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]propane-1,3-diol
CID 19822751
2-[[2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-yl]amino]ethane-1,1-diol
CID 156545360
[(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-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (CID 19822746) is [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is CN(C)c1nc(N)nc2c1ncn2C1C=CC(CO)C1.
What is the InChIKey of [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is ZRHWHCUSHGSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18(2)11-10-12(17-13(14)16-11)19(7-15-10)9-4-3-8(5-9)6-20/h3-4,7-9,20H,5-6H2,1-2H3,(H2,14,16,17).
What are the key properties of [4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol has a molecular weight of 274.33 g/mol, XLogP of 0.58, 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-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 19822746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).