2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine

C11H15ClN4O — CID 104786882

IUPAC2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
SMILESCC(C)CC(C)Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H15ClN4O/c1-6(2)4-7(3)17-10-8-9(14-5-13-8)15-11(12)16-10/h5-7H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyZCRRRHZPJXYHBR-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine

2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine (PubChem CID 104786882) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
PubChem CID104786882
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
SMILESCC(C)CC(C)Oc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H15ClN4O/c1-6(2)4-7(3)17-10-8-9(14-5-13-8)15-11(12)16-10/h5-7H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyZCRRRHZPJXYHBR-UHFFFAOYSA-N
XLogP2.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
CID 104787050
2-chloro-6-(3-methylbutylsulfanyl)-7H-purine
CID 107751341
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine?
The IUPAC name of 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine (CID 104786882) is 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine.
What is the SMILES notation for 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine?
The canonical SMILES for 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine is CC(C)CC(C)Oc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine?
The InChIKey is ZCRRRHZPJXYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-6(2)4-7(3)17-10-8-9(14-5-13-8)15-11(12)16-10/h5-7H,4H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine?
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine has a molecular weight of 254.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine is sourced from PubChem (CID 104786882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).