6-chloro-9-(6-chloropurin-9-yl)oxypurine

C10H4Cl2N8O — CID 174748519

IUPAC6-chloro-9-(6-chloropurin-9-yl)oxypurine
SMILESClc1ncnc2c1ncn2On1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H4Cl2N8O/c11-7-5-9(15-1-13-7)19(3-17-5)21-20-4-18-6-8(12)14-2-16-10(6)20/h1-4H
InChIKeyRENQPWIOICGITJ-UHFFFAOYSA-N
MW323.10 g/mol
LogP1.16
Rot. Bonds2

About 6-chloro-9-(6-chloropurin-9-yl)oxypurine

6-chloro-9-(6-chloropurin-9-yl)oxypurine (PubChem CID 174748519) has the molecular formula C10H4Cl2N8O and a molecular weight of 323.10 g/mol. Its IUPAC name is 6-chloro-9-(6-chloropurin-9-yl)oxypurine.

Molecular Properties

Compound Name6-chloro-9-(6-chloropurin-9-yl)oxypurine
PubChem CID174748519
Molecular FormulaC10H4Cl2N8O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name6-chloro-9-(6-chloropurin-9-yl)oxypurine
SMILESClc1ncnc2c1ncn2On1cnc2c(Cl)ncnc21
InChIInChI=1S/C10H4Cl2N8O/c11-7-5-9(15-1-13-7)19(3-17-5)21-20-4-18-6-8(12)14-2-16-10(6)20/h1-4H
InChIKeyRENQPWIOICGITJ-UHFFFAOYSA-N
XLogP1.16
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(6-chloropurin-9-yl)oxypurine?
The IUPAC name of 6-chloro-9-(6-chloropurin-9-yl)oxypurine (CID 174748519) is 6-chloro-9-(6-chloropurin-9-yl)oxypurine.
What is the SMILES notation for 6-chloro-9-(6-chloropurin-9-yl)oxypurine?
The canonical SMILES for 6-chloro-9-(6-chloropurin-9-yl)oxypurine is Clc1ncnc2c1ncn2On1cnc2c(Cl)ncnc21.
What is the InChIKey of 6-chloro-9-(6-chloropurin-9-yl)oxypurine?
The InChIKey is RENQPWIOICGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N8O/c11-7-5-9(15-1-13-7)19(3-17-5)21-20-4-18-6-8(12)14-2-16-10(6)20/h1-4H.
What are the key properties of 6-chloro-9-(6-chloropurin-9-yl)oxypurine?
6-chloro-9-(6-chloropurin-9-yl)oxypurine has a molecular weight of 323.10 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(6-chloropurin-9-yl)oxypurine is sourced from PubChem (CID 174748519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).