6-chloro-7-(2-methoxyphenyl)purin-8-amine

C12H10ClN5O — CID 132588127

IUPAC6-chloro-7-(2-methoxyphenyl)purin-8-amine
SMILESCOc1ccccc1-n1c(N)nc2ncnc(Cl)c21
InChIInChI=1S/C12H10ClN5O/c1-19-8-5-3-2-4-7(8)18-9-10(13)15-6-16-11(9)17-12(18)14/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyBVWZYMHNJVQOAV-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.06
Rot. Bonds2

About 6-chloro-7-(2-methoxyphenyl)purin-8-amine

6-chloro-7-(2-methoxyphenyl)purin-8-amine (PubChem CID 132588127) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-chloro-7-(2-methoxyphenyl)purin-8-amine.

Molecular Properties

Compound Name6-chloro-7-(2-methoxyphenyl)purin-8-amine
PubChem CID132588127
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-chloro-7-(2-methoxyphenyl)purin-8-amine
SMILESCOc1ccccc1-n1c(N)nc2ncnc(Cl)c21
InChIInChI=1S/C12H10ClN5O/c1-19-8-5-3-2-4-7(8)18-9-10(13)15-6-16-11(9)17-12(18)14/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyBVWZYMHNJVQOAV-UHFFFAOYSA-N
XLogP2.06
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-methoxyphenyl)purin-8-amine?
The IUPAC name of 6-chloro-7-(2-methoxyphenyl)purin-8-amine (CID 132588127) is 6-chloro-7-(2-methoxyphenyl)purin-8-amine.
What is the SMILES notation for 6-chloro-7-(2-methoxyphenyl)purin-8-amine?
The canonical SMILES for 6-chloro-7-(2-methoxyphenyl)purin-8-amine is COc1ccccc1-n1c(N)nc2ncnc(Cl)c21.
What is the InChIKey of 6-chloro-7-(2-methoxyphenyl)purin-8-amine?
The InChIKey is BVWZYMHNJVQOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-19-8-5-3-2-4-7(8)18-9-10(13)15-6-16-11(9)17-12(18)14/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-7-(2-methoxyphenyl)purin-8-amine?
6-chloro-7-(2-methoxyphenyl)purin-8-amine has a molecular weight of 275.70 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-methoxyphenyl)purin-8-amine is sourced from PubChem (CID 132588127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).