6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine

C11H9ClN6O — CID 10802446

IUPAC6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccnc(Cl)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H9ClN6O/c12-7-3-6(1-2-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5H,4H2,(H3,13,15,16,17,18)
InChIKeyNQPVJXJZVAREAC-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.56
Rot. Bonds3

About 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine

6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine (PubChem CID 10802446) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine
PubChem CID10802446
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine
SMILESNc1nc(OCc2ccnc(Cl)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H9ClN6O/c12-7-3-6(1-2-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5H,4H2,(H3,13,15,16,17,18)
InChIKeyNQPVJXJZVAREAC-UHFFFAOYSA-N
XLogP1.56
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Cyclohexylmethoxy-2-(3'-chloroanilino) purine
CID 4565
6-[(4-chlorophenyl)methoxy]-7H-purin-2-amine
CID 15024478
6-[(3-chlorophenyl)methoxy]-7H-purine
CID 146314029
1H-Purin-2-amine, 6-(2-pyridinylmethoxy)-
CID 5329538
O6-Substituted Guanine Deriv. 58
CID 5329539
6-(2-Chloro-pyridin-4-ylmethoxy)-6,9-dihydro-1H-purin-2-ylamine
CID 44366088
6-(3-chlorobenzyloxy)-2-(piperazin-1-yl)-9H-purine
CID 46228440
6-chloro-2-phenyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
CID 162656663
6-chloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-4-ethoxy-1H-imidazo[4,5-c]pyridin-2-amine
CID 164625126
N-(5-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548219
5-chloro-N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-amine
CID 59548381
O6-Substituted Guanine Deriv. 33
CID 5329517

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine (CID 10802446) is 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine is Nc1nc(OCc2ccnc(Cl)c2)c2[nH]cnc2n1.
What is the InChIKey of 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine?
The InChIKey is NQPVJXJZVAREAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c12-7-3-6(1-2-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5H,4H2,(H3,13,15,16,17,18).
What are the key properties of 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine?
6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine has a molecular weight of 276.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-pyridinyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 10802446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).