potassium 2-chloropurin-9-id-6-amine

C5H3ClKN5 — CID 58049091

IUPACpotassium 2-chloropurin-9-id-6-amine
SMILESNc1nc(Cl)nc2[n-]cnc12.[K+]
InChIInChI=1S/C5H3ClN5.K/c6-5-10-3(7)2-4(11-5)9-1-8-2;/h1H,(H2-,7,8,9,10,11);/q-1;+1
InChIKeyLJEXLSOSRUVPGS-UHFFFAOYSA-N
MW207.66 g/mol
LogP-2.78
Rot. Bonds

About potassium 2-chloropurin-9-id-6-amine

potassium 2-chloropurin-9-id-6-amine (PubChem CID 58049091) has the molecular formula C5H3ClKN5 and a molecular weight of 207.66 g/mol. Its IUPAC name is potassium 2-chloropurin-9-id-6-amine.

Molecular Properties

Compound Namepotassium 2-chloropurin-9-id-6-amine
PubChem CID58049091
Molecular FormulaC5H3ClKN5
Molecular Weight207.66 g/mol
Exact Mass206.97
IUPAC Namepotassium 2-chloropurin-9-id-6-amine
SMILESNc1nc(Cl)nc2[n-]cnc12.[K+]
InChIInChI=1S/C5H3ClN5.K/c6-5-10-3(7)2-4(11-5)9-1-8-2;/h1H,(H2-,7,8,9,10,11);/q-1;+1
InChIKeyLJEXLSOSRUVPGS-UHFFFAOYSA-N
XLogP-2.78
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-2.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-chloropurin-9-id-6-amine?
The IUPAC name of potassium 2-chloropurin-9-id-6-amine (CID 58049091) is potassium 2-chloropurin-9-id-6-amine.
What is the SMILES notation for potassium 2-chloropurin-9-id-6-amine?
The canonical SMILES for potassium 2-chloropurin-9-id-6-amine is Nc1nc(Cl)nc2[n-]cnc12.[K+].
What is the InChIKey of potassium 2-chloropurin-9-id-6-amine?
The InChIKey is LJEXLSOSRUVPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN5.K/c6-5-10-3(7)2-4(11-5)9-1-8-2;/h1H,(H2-,7,8,9,10,11);/q-1;+1.
What are the key properties of potassium 2-chloropurin-9-id-6-amine?
potassium 2-chloropurin-9-id-6-amine has a molecular weight of 207.66 g/mol, XLogP of -2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chloropurin-9-id-6-amine is sourced from PubChem (CID 58049091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).