4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

C9H7N3O2 — CID 22618167

IUPAC4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccn2)[nH]1
InChIInChI=1S/C9H7N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)
InChIKeyKYJMYKDNPYLJLR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.54
Rot. Bonds1

About 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 22618167) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID22618167
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccccn2)[nH]1
InChIInChI=1S/C9H7N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14)
InChIKeyKYJMYKDNPYLJLR-UHFFFAOYSA-N
XLogP0.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 22618167) is 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccccn2)[nH]1.
What is the InChIKey of 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is KYJMYKDNPYLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h1-5H,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 189.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 22618167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).