9-chloropurine;hydrochloride

C5H4Cl2N4 — CID 69266784

IUPAC9-chloropurine;hydrochloride
SMILESCl.Cln1cnc2cncnc21
InChIInChI=1S/C5H3ClN4.ClH/c6-10-3-9-4-1-7-2-8-5(4)10;/h1-3H;1H
InChIKeyKKXCFBJDZIJVDK-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.25
Rot. Bonds

About 9-chloropurine;hydrochloride

9-chloropurine;hydrochloride (PubChem CID 69266784) has the molecular formula C5H4Cl2N4 and a molecular weight of 191.02 g/mol. Its IUPAC name is 9-chloropurine;hydrochloride.

Molecular Properties

Compound Name9-chloropurine;hydrochloride
PubChem CID69266784
Molecular FormulaC5H4Cl2N4
Molecular Weight191.02 g/mol
Exact Mass189.98
IUPAC Name9-chloropurine;hydrochloride
SMILESCl.Cln1cnc2cncnc21
InChIInChI=1S/C5H3ClN4.ClH/c6-10-3-9-4-1-7-2-8-5(4)10;/h1-3H;1H
InChIKeyKKXCFBJDZIJVDK-UHFFFAOYSA-N
XLogP1.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloropurine;hydrochloride?
The IUPAC name of 9-chloropurine;hydrochloride (CID 69266784) is 9-chloropurine;hydrochloride.
What is the SMILES notation for 9-chloropurine;hydrochloride?
The canonical SMILES for 9-chloropurine;hydrochloride is Cl.Cln1cnc2cncnc21.
What is the InChIKey of 9-chloropurine;hydrochloride?
The InChIKey is KKXCFBJDZIJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4.ClH/c6-10-3-9-4-1-7-2-8-5(4)10;/h1-3H;1H.
What are the key properties of 9-chloropurine;hydrochloride?
9-chloropurine;hydrochloride has a molecular weight of 191.02 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloropurine;hydrochloride is sourced from PubChem (CID 69266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).