2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one

C10H8N6O — CID 135424596

IUPAC2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(-c3cccnc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H8N6O/c11-10-15-8-6(9(17)16-10)13-7(14-8)5-2-1-3-12-4-5/h1-4H,(H4,11,13,14,15,16,17)
InChIKeyCYNGEGTWGBHJBB-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.29
Rot. Bonds1

About 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one

2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one (PubChem CID 135424596) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one
PubChem CID135424596
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(-c3cccnc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C10H8N6O/c11-10-15-8-6(9(17)16-10)13-7(14-8)5-2-1-3-12-4-5/h1-4H,(H4,11,13,14,15,16,17)
InChIKeyCYNGEGTWGBHJBB-UHFFFAOYSA-N
XLogP0.29
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one (CID 135424596) is 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one is Nc1nc2nc(-c3cccnc3)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one?
The InChIKey is CYNGEGTWGBHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-10-15-8-6(9(17)16-10)13-7(14-8)5-2-1-3-12-4-5/h1-4H,(H4,11,13,14,15,16,17).
What are the key properties of 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one?
2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one has a molecular weight of 228.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-pyridin-3-yl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135424596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).