2-chloro-6,9-dimethylpurine

C7H7ClN4 — CID 7147192

IUPAC2-chloro-6,9-dimethylpurine
SMILESCc1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C7H7ClN4/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3
InChIKeyIMESDNKNMQDHLR-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.33
Rot. Bonds

About 2-chloro-6,9-dimethylpurine

2-chloro-6,9-dimethylpurine (PubChem CID 7147192) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-6,9-dimethylpurine.

Molecular Properties

Compound Name2-chloro-6,9-dimethylpurine
PubChem CID7147192
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name2-chloro-6,9-dimethylpurine
SMILESCc1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C7H7ClN4/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3
InChIKeyIMESDNKNMQDHLR-UHFFFAOYSA-N
XLogP1.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,9-dimethylpurine?
The IUPAC name of 2-chloro-6,9-dimethylpurine (CID 7147192) is 2-chloro-6,9-dimethylpurine.
What is the SMILES notation for 2-chloro-6,9-dimethylpurine?
The canonical SMILES for 2-chloro-6,9-dimethylpurine is Cc1nc(Cl)nc2c1ncn2C.
What is the InChIKey of 2-chloro-6,9-dimethylpurine?
The InChIKey is IMESDNKNMQDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3.
What are the key properties of 2-chloro-6,9-dimethylpurine?
2-chloro-6,9-dimethylpurine has a molecular weight of 182.61 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,9-dimethylpurine is sourced from PubChem (CID 7147192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).