2,6-dichloro-9-propylpurine

C8H8Cl2N4 — CID 10561482

IUPAC2,6-dichloro-9-propylpurine
SMILESCCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h4H,2-3H2,1H3
InChIKeyAXABRFYDCHAYBC-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.54
Rot. Bonds2

About 2,6-dichloro-9-propylpurine

2,6-dichloro-9-propylpurine (PubChem CID 10561482) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2,6-dichloro-9-propylpurine.

Molecular Properties

Compound Name2,6-dichloro-9-propylpurine
PubChem CID10561482
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2,6-dichloro-9-propylpurine
SMILESCCCn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h4H,2-3H2,1H3
InChIKeyAXABRFYDCHAYBC-UHFFFAOYSA-N
XLogP2.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-propylpurine?
The IUPAC name of 2,6-dichloro-9-propylpurine (CID 10561482) is 2,6-dichloro-9-propylpurine.
What is the SMILES notation for 2,6-dichloro-9-propylpurine?
The canonical SMILES for 2,6-dichloro-9-propylpurine is CCCn1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,6-dichloro-9-propylpurine?
The InChIKey is AXABRFYDCHAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14/h4H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-9-propylpurine?
2,6-dichloro-9-propylpurine has a molecular weight of 231.09 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-propylpurine is sourced from PubChem (CID 10561482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).