2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

C10H9N3O2 — CID 21273297

IUPAC2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2nccc(=O)[nH]2)cc[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-2-4-11-8(13-9)5-7-1-3-12-10(15)6-7/h1-4,6H,5H2,(H,12,15)(H,11,13,14)
InChIKeyNGHBLEAZXQFBHX-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.05
Rot. Bonds2

About 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 21273297) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID21273297
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2nccc(=O)[nH]2)cc[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-2-4-11-8(13-9)5-7-1-3-12-10(15)6-7/h1-4,6H,5H2,(H,12,15)(H,11,13,14)
InChIKeyNGHBLEAZXQFBHX-UHFFFAOYSA-N
XLogP0.05
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one (CID 21273297) is 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one is O=c1cc(Cc2nccc(=O)[nH]2)cc[nH]1.
What is the InChIKey of 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is NGHBLEAZXQFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-2-4-11-8(13-9)5-7-1-3-12-10(15)6-7/h1-4,6H,5H2,(H,12,15)(H,11,13,14).
What are the key properties of 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one?
2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 203.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 21273297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).