9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine

C11H9ClN6 — CID 79241002

IUPAC9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN6/c12-8-3-1-2-7(17-8)4-18-6-16-9-10(13)14-5-15-11(9)18/h1-3,5-6H,4H2,(H2,13,14,15)
InChIKeyLIOHJGPLRSGTKI-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.51
Rot. Bonds2

About 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine

9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine (PubChem CID 79241002) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
PubChem CID79241002
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN6/c12-8-3-1-2-7(17-8)4-18-6-16-9-10(13)14-5-15-11(9)18/h1-3,5-6H,4H2,(H2,13,14,15)
InChIKeyLIOHJGPLRSGTKI-UHFFFAOYSA-N
XLogP1.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
2-chloro-9-[(6-methyl-2-pyridinyl)methyl]purin-6-amine
CID 162676318
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
9-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]purin-6-amine
CID 177370737
9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
CID 115334201
[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631

Frequently Asked Questions

What is the IUPAC name of 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine (CID 79241002) is 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine is Nc1ncnc2c1ncn2Cc1cccc(Cl)n1.
What is the InChIKey of 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine?
The InChIKey is LIOHJGPLRSGTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-8-3-1-2-7(17-8)4-18-6-16-9-10(13)14-5-15-11(9)18/h1-3,5-6H,4H2,(H2,13,14,15).
What are the key properties of 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine?
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine has a molecular weight of 260.69 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 79241002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).