9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine

C15H21N5O — CID 10827148

IUPAC9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
SMILESCC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C15H21N5O/c1-15(2,3)21-7-10-4-5-11(6-10)20-9-19-12-13(16)17-8-18-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H2,16,17,18)/t10-,11+/m0/s1
InChIKeyBJNLCNXBXIYYLG-WDEREUQCSA-N
MW287.37 g/mol
LogP2.34
Rot. Bonds3

About 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine

9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine (PubChem CID 10827148) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
PubChem CID10827148
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
SMILESCC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C15H21N5O/c1-15(2,3)21-7-10-4-5-11(6-10)20-9-19-12-13(16)17-8-18-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H2,16,17,18)/t10-,11+/m0/s1
InChIKeyBJNLCNXBXIYYLG-WDEREUQCSA-N
XLogP2.34
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine with MolForge

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Related Compounds

6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
CID 10757082
2-amino-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135547095
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
methyl 2-[[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]amino]-2-methylpropanoate
CID 513203
methyl (2S)-2-[[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-phenoxyphosphoryl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 11994438
9-[(2R,5R)-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
CID 174086586
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356
[amino-[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy]phosphoryl] (2S)-2-amino-3-phenylpropanoate
CID 87923792
diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
CID 171628949

Frequently Asked Questions

What is the IUPAC name of 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine?
The IUPAC name of 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine (CID 10827148) is 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine.
What is the SMILES notation for 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine?
The canonical SMILES for 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine is CC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine?
The InChIKey is BJNLCNXBXIYYLG-WDEREUQCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)21-7-10-4-5-11(6-10)20-9-19-12-13(16)17-8-18-14(12)20/h4-5,8-11H,6-7H2,1-3H3,(H2,16,17,18)/t10-,11+/m0/s1.
What are the key properties of 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine?
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine has a molecular weight of 287.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine is sourced from PubChem (CID 10827148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).