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

C15H19ClN4O — CID 10757082

IUPAC6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
SMILESCC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H19ClN4O/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/t10-,11+/m0/s1
InChIKeyXPNOKHYOVUDGFW-WDEREUQCSA-N
MW306.80 g/mol
LogP3.41
Rot. Bonds3

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

6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine (PubChem CID 10757082) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine.

Molecular Properties

Compound Name6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
PubChem CID10757082
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine
SMILESCC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H19ClN4O/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/t10-,11+/m0/s1
InChIKeyXPNOKHYOVUDGFW-WDEREUQCSA-N
XLogP3.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
2-amino-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135547095
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
[(1S,4R)-4-(6-chloro-2-methylpurin-9-yl)cyclopent-2-en-1-yl]methyl acetate
CID 59017603
[(1R,4S)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl methyl carbonate
CID 10914291
[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite
CID 156694801
[(1S,4R)-4-(6-propoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10731041
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
5-(6-chloropurin-9-yl)-4-methyloxolane-2-carbaldehyde
CID 156542752
2-[(1R,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]ethyl acetate
CID 101026740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine?
The IUPAC name of 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine (CID 10757082) is 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine.
What is the SMILES notation for 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine?
The canonical SMILES for 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine is CC(C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(Cl)ncnc32)C1.
What is the InChIKey of 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine?
The InChIKey is XPNOKHYOVUDGFW-WDEREUQCSA-N. The full InChI is InChI=1S/C15H19ClN4O/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/t10-,11+/m0/s1.
What are the key properties of 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine?
6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine has a molecular weight of 306.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine is sourced from PubChem (CID 10757082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).