2,8-dichloro-6-methyl-7H-purine

C6H4Cl2N4 — CID 22948411

IUPAC2,8-dichloro-6-methyl-7H-purine
SMILESCc1nc(Cl)nc2nc(Cl)[nH]c12
InChIInChI=1S/C6H4Cl2N4/c1-2-3-4(11-5(7)9-2)12-6(8)10-3/h1H3,(H,9,10,11,12)
InChIKeyZKHMNTSUVXKXGW-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.97
Rot. Bonds

About 2,8-dichloro-6-methyl-7H-purine

2,8-dichloro-6-methyl-7H-purine (PubChem CID 22948411) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 2,8-dichloro-6-methyl-7H-purine.

Molecular Properties

Compound Name2,8-dichloro-6-methyl-7H-purine
PubChem CID22948411
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name2,8-dichloro-6-methyl-7H-purine
SMILESCc1nc(Cl)nc2nc(Cl)[nH]c12
InChIInChI=1S/C6H4Cl2N4/c1-2-3-4(11-5(7)9-2)12-6(8)10-3/h1H3,(H,9,10,11,12)
InChIKeyZKHMNTSUVXKXGW-UHFFFAOYSA-N
XLogP1.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-6-methyl-7H-purine?
The IUPAC name of 2,8-dichloro-6-methyl-7H-purine (CID 22948411) is 2,8-dichloro-6-methyl-7H-purine.
What is the SMILES notation for 2,8-dichloro-6-methyl-7H-purine?
The canonical SMILES for 2,8-dichloro-6-methyl-7H-purine is Cc1nc(Cl)nc2nc(Cl)[nH]c12.
What is the InChIKey of 2,8-dichloro-6-methyl-7H-purine?
The InChIKey is ZKHMNTSUVXKXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c1-2-3-4(11-5(7)9-2)12-6(8)10-3/h1H3,(H,9,10,11,12).
What are the key properties of 2,8-dichloro-6-methyl-7H-purine?
2,8-dichloro-6-methyl-7H-purine has a molecular weight of 203.03 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-6-methyl-7H-purine is sourced from PubChem (CID 22948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).