5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one

C21H19N3O3 — CID 147538220

IUPAC5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
SMILESO=C(CC1CCCc2ccccc21)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C21H19N3O3/c25-17(12-14-8-5-7-13-6-1-2-9-15(13)14)18-19(26)21(27)24-20(23-18)16-10-3-4-11-22-16/h1-4,6,9-11,14,26H,5,7-8,12H2,(H,23,24,27)
InChIKeyFOJPKCVBJQYUPG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.23
Rot. Bonds4

About 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one

5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one (PubChem CID 147538220) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
PubChem CID147538220
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
SMILESO=C(CC1CCCc2ccccc21)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C21H19N3O3/c25-17(12-14-8-5-7-13-6-1-2-9-15(13)14)18-19(26)21(27)24-20(23-18)16-10-3-4-11-22-16/h1-4,6,9-11,14,26H,5,7-8,12H2,(H,23,24,27)
InChIKeyFOJPKCVBJQYUPG-UHFFFAOYSA-N
XLogP3.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 167390272
1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 105082761
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135977009
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
CID 82373746
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616906
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
CID 55243638
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one (CID 147538220) is 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one is O=C(CC1CCCc2ccccc21)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one?
The InChIKey is FOJPKCVBJQYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-17(12-14-8-5-7-13-6-1-2-9-15(13)14)18-19(26)21(27)24-20(23-18)16-10-3-4-11-22-16/h1-4,6,9-11,14,26H,5,7-8,12H2,(H,23,24,27).
What are the key properties of 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one?
5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one has a molecular weight of 361.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 147538220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).