2,6-dichloro-7H-purine

C5H2Cl2N4 — CID 5324412

IUPAC2,6-dichloro-7H-purine
SMILESClc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeyRMFWVOLULURGJI-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.66
Rot. Bonds

About 2,6-dichloro-7H-purine

2,6-dichloro-7H-purine (PubChem CID 5324412) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 2,6-dichloro-7H-purine.

Molecular Properties

Compound Name2,6-dichloro-7H-purine
PubChem CID5324412
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name2,6-dichloro-7H-purine
SMILESClc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeyRMFWVOLULURGJI-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7H-purine?
The IUPAC name of 2,6-dichloro-7H-purine (CID 5324412) is 2,6-dichloro-7H-purine.
What is the SMILES notation for 2,6-dichloro-7H-purine?
The canonical SMILES for 2,6-dichloro-7H-purine is Clc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 2,6-dichloro-7H-purine?
The InChIKey is RMFWVOLULURGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11).
What are the key properties of 2,6-dichloro-7H-purine?
2,6-dichloro-7H-purine has a molecular weight of 189.01 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7H-purine is sourced from PubChem (CID 5324412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).