2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine

C10H13ClN4O3 — CID 104787050

IUPAC2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
SMILESCOCCOCCOc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H13ClN4O3/c1-16-2-3-17-4-5-18-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyIXNYOSCSFVVRDD-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.05
Rot. Bonds7

About 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine

2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine (PubChem CID 104787050) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine.

Molecular Properties

Compound Name2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
PubChem CID104787050
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine
SMILESCOCCOCCOc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H13ClN4O3/c1-16-2-3-17-4-5-18-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyIXNYOSCSFVVRDD-UHFFFAOYSA-N
XLogP1.05
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
CID 114786789
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2,6-dichloro-7H-purine
CID 10750289
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
CID 104697715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine?
The IUPAC name of 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine (CID 104787050) is 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine.
What is the SMILES notation for 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine?
The canonical SMILES for 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine is COCCOCCOc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine?
The InChIKey is IXNYOSCSFVVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-16-2-3-17-4-5-18-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine?
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine has a molecular weight of 272.69 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(2-methoxyethoxy)ethoxy]-7H-purine is sourced from PubChem (CID 104787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).