2-pyridin-2-ylpurin-3-amine

C10H8N6 — CID 150803337

IUPAC2-pyridin-2-ylpurin-3-amine
SMILESNn1c(-c2ccccn2)ncc2ncnc1-2
InChIInChI=1S/C10H8N6/c11-16-9(7-3-1-2-4-12-7)13-5-8-10(16)15-6-14-8/h1-6H,11H2
InChIKeyKGIMOCHOKOIXHF-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.55
Rot. Bonds1

About 2-pyridin-2-ylpurin-3-amine

2-pyridin-2-ylpurin-3-amine (PubChem CID 150803337) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-pyridin-2-ylpurin-3-amine.

Molecular Properties

Compound Name2-pyridin-2-ylpurin-3-amine
PubChem CID150803337
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-pyridin-2-ylpurin-3-amine
SMILESNn1c(-c2ccccn2)ncc2ncnc1-2
InChIInChI=1S/C10H8N6/c11-16-9(7-3-1-2-4-12-7)13-5-8-10(16)15-6-14-8/h1-6H,11H2
InChIKeyKGIMOCHOKOIXHF-UHFFFAOYSA-N
XLogP0.55
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpurin-3-amine?
The IUPAC name of 2-pyridin-2-ylpurin-3-amine (CID 150803337) is 2-pyridin-2-ylpurin-3-amine.
What is the SMILES notation for 2-pyridin-2-ylpurin-3-amine?
The canonical SMILES for 2-pyridin-2-ylpurin-3-amine is Nn1c(-c2ccccn2)ncc2ncnc1-2.
What is the InChIKey of 2-pyridin-2-ylpurin-3-amine?
The InChIKey is KGIMOCHOKOIXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-16-9(7-3-1-2-4-12-7)13-5-8-10(16)15-6-14-8/h1-6H,11H2.
What are the key properties of 2-pyridin-2-ylpurin-3-amine?
2-pyridin-2-ylpurin-3-amine has a molecular weight of 212.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpurin-3-amine is sourced from PubChem (CID 150803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).