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

C13H18N6O — CID 18646989

IUPAC[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](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)/t8-,9+/m0/s1
InChIKeyZRHWHCUSHGSMDV-DTWKUNHWSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds3

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

[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 18646989) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID18646989
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESCN(C)c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](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)/t8-,9+/m0/s1
InChIKeyZRHWHCUSHGSMDV-DTWKUNHWSA-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'}

Analyze [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 19822746
[(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 [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol (CID 18646989) is [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is CN(C)c1nc(N)nc2c1ncn2[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is ZRHWHCUSHGSMDV-DTWKUNHWSA-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)/t8-,9+/m0/s1.
What are the key properties of [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-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 [(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 18646989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).