6-(pyridin-3-ylmethoxy)-7H-purin-2-amine

C11H10N6O — CID 5329539

IUPAC6-(pyridin-3-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2cccnc2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
InChIKeyFIVSCRZBYBKIIB-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.91
Rot. Bonds3

About 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine

6-(pyridin-3-ylmethoxy)-7H-purin-2-amine (PubChem CID 5329539) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(pyridin-3-ylmethoxy)-7H-purin-2-amine
PubChem CID5329539
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name6-(pyridin-3-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2cccnc2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
InChIKeyFIVSCRZBYBKIIB-UHFFFAOYSA-N
XLogP0.91
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Phenylmethoxy)-9H-purin-2-amine
CID 4578
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
Gdc-0425
CID 58266779
6-Benzyloxypurine
CID 853677
Meriolin 5
CID 23727982
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
Meriolin 4
CID 24801697
6-((3-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 24905366
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
4-propan-2-yloxy-5H-pyrimido[5,4-b]indole
CID 3994853
1-Amino-6-Cyclohex-3-Enylmethyloxypurine
CID 445967
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine (CID 5329539) is 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCc2cccnc2)c2[nH]cnc2n1.
What is the InChIKey of 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine?
The InChIKey is FIVSCRZBYBKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H3,12,14,15,16,17).
What are the key properties of 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine?
6-(pyridin-3-ylmethoxy)-7H-purin-2-amine has a molecular weight of 242.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).