5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C19H17N3O4 — CID 162060757

IUPAC5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCCc1ccc(O)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C19H17N3O4/c23-13-9-7-12(8-10-13)4-3-6-15(24)16-17(25)19(26)22-18(21-16)14-5-1-2-11-20-14/h1-2,5,7-11,23,25H,3-4,6H2,(H,21,22,26)
InChIKeyYZUQADFJJFBUPD-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.45
Rot. Bonds6

About 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 162060757) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID162060757
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCCc1ccc(O)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C19H17N3O4/c23-13-9-7-12(8-10-13)4-3-6-15(24)16-17(25)19(26)22-18(21-16)14-5-1-2-11-20-14/h1-2,5,7-11,23,25H,3-4,6H2,(H,21,22,26)
InChIKeyYZUQADFJJFBUPD-UHFFFAOYSA-N
XLogP2.45
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446
N-[(3-chloro-4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601940
5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
CID 147538220
5-hydroxy-N-(4-methylphenyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593198
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
N-[(2,3-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 135601853
5-hydroxy-N-(2-methoxy-2-phenylethyl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 137037001
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 167390272
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 162060757) is 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(CCCc1ccc(O)cc1)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is YZUQADFJJFBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-13-9-7-12(8-10-13)4-3-6-15(24)16-17(25)19(26)22-18(21-16)14-5-1-2-11-20-14/h1-2,5,7-11,23,25H,3-4,6H2,(H,21,22,26).
What are the key properties of 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 351.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 162060757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).