5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one

C18H15N3O4 — CID 158186431

IUPAC5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(COCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O4/c22-14(11-25-10-12-6-2-1-3-7-12)15-16(23)18(24)21-17(20-15)13-8-4-5-9-19-13/h1-9,23H,10-11H2,(H,20,21,24)
InChIKeyFZESMVOUEHHZER-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.94
Rot. Bonds6

About 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one

5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 158186431) has the molecular formula C18H15N3O4 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID158186431
Molecular FormulaC18H15N3O4
Molecular Weight337.33 g/mol
Exact Mass337.11
IUPAC Name5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(COCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O4/c22-14(11-25-10-12-6-2-1-3-7-12)15-16(23)18(24)21-17(20-15)13-8-4-5-9-19-13/h1-9,23H,10-11H2,(H,20,21,24)
InChIKeyFZESMVOUEHHZER-UHFFFAOYSA-N
XLogP1.94
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 158186431) is 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(COCc1ccccc1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is FZESMVOUEHHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-14(11-25-10-12-6-2-1-3-7-12)15-16(23)18(24)21-17(20-15)13-8-4-5-9-19-13/h1-9,23H,10-11H2,(H,20,21,24).
What are the key properties of 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 337.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 158186431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).