2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine

C11H9ClN6 — CID 141058722

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
SMILESNc1nc(Cc2ccc(Cl)nc2)nc2nc[nH]c12
InChIInChI=1S/C11H9ClN6/c12-7-2-1-6(4-14-7)3-8-17-10(13)9-11(18-8)16-5-15-9/h1-2,4-5H,3H2,(H3,13,15,16,17,18)
InChIKeyAVWMEYVYSJTOEB-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.57
Rot. Bonds2

About 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine

2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine (PubChem CID 141058722) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
PubChem CID141058722
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
SMILESNc1nc(Cc2ccc(Cl)nc2)nc2nc[nH]c12
InChIInChI=1S/C11H9ClN6/c12-7-2-1-6(4-14-7)3-8-17-10(13)9-11(18-8)16-5-15-9/h1-2,4-5H,3H2,(H3,13,15,16,17,18)
InChIKeyAVWMEYVYSJTOEB-UHFFFAOYSA-N
XLogP1.57
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine (CID 141058722) is 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine is Nc1nc(Cc2ccc(Cl)nc2)nc2nc[nH]c12.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine?
The InChIKey is AVWMEYVYSJTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-7-2-1-6(4-14-7)3-8-17-10(13)9-11(18-8)16-5-15-9/h1-2,4-5H,3H2,(H3,13,15,16,17,18).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine?
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine has a molecular weight of 260.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 141058722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).