9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine

C11H9ClN6 — CID 62469538

IUPAC9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccnc(Cl)c1
InChIInChI=1S/C11H9ClN6/c12-8-3-7(1-2-14-8)4-18-6-17-9-10(13)15-5-16-11(9)18/h1-3,5-6H,4H2,(H2,13,15,16)
InChIKeyDFRCAPZPAQOFCG-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.51
Rot. Bonds2

About 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine

9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine (PubChem CID 62469538) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
PubChem CID62469538
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1ccnc(Cl)c1
InChIInChI=1S/C11H9ClN6/c12-8-3-7(1-2-14-8)4-18-6-17-9-10(13)15-5-16-11(9)18/h1-3,5-6H,4H2,(H2,13,15,16)
InChIKeyDFRCAPZPAQOFCG-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-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine (CID 62469538) is 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine is Nc1ncnc2c1ncn2Cc1ccnc(Cl)c1.
What is the InChIKey of 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine?
The InChIKey is DFRCAPZPAQOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-8-3-7(1-2-14-8)4-18-6-17-9-10(13)15-5-16-11(9)18/h1-3,5-6H,4H2,(H2,13,15,16).
What are the key properties of 9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine?
9-[(2-chloro-4-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-[(2-chloro-4-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 62469538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).