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

C14H18N4O2 — CID 10731041

IUPAC[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESCCCOc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C14H18N4O2/c1-2-5-20-14-12-13(15-8-16-14)18(9-17-12)11-4-3-10(6-11)7-19/h3-4,8-11,19H,2,5-7H2,1H3/t10-,11+/m1/s1
InChIKeyZGDOIBYFLMJITN-MNOVXSKESA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

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

[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol (PubChem CID 10731041) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
PubChem CID10731041
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
SMILESCCCOc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C14H18N4O2/c1-2-5-20-14-12-13(15-8-16-14)18(9-17-12)11-4-3-10(6-11)7-19/h3-4,8-11,19H,2,5-7H2,1H3/t10-,11+/m1/s1
InChIKeyZGDOIBYFLMJITN-MNOVXSKESA-N
XLogP1.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purin-6-one
CID 54351803
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
[(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
[(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
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
CID 10757082
[(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-[cyclopropyl(ethyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 57063501
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol (CID 10731041) is [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol is CCCOc1ncnc2c1ncn2[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol?
The InChIKey is ZGDOIBYFLMJITN-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-5-20-14-12-13(15-8-16-14)18(9-17-12)11-4-3-10(6-11)7-19/h3-4,8-11,19H,2,5-7H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol?
[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 10731041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).