4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one

C20H15N3O3S — CID 146654025

IUPAC4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25)
InChIKeyJQFHGLZXCWOEJG-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.94
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one

4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one (PubChem CID 146654025) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
PubChem CID146654025
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
SMILESCOc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25)
InChIKeyJQFHGLZXCWOEJG-UHFFFAOYSA-N
XLogP3.94
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

4-cyclopenta-1,3-dien-1-yl-6-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
CID 158496620
6-(4-chloropyridin-1-ium-3-yl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one chloride
CID 159121403
[4-[6-(4-chlorophenyl)-2-oxo-1H-pyrimidin-4-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 145440681
ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
CID 136595487
[4-[6-(4-chlorophenyl)-2-oxo-1H-pyrimidin-4-yl]-2-methoxyphenyl] sulfate
CID 153499770
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
6-(4-chlorophenyl)-4-[4-hydroxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-1H-pyrimidin-2-one chloride
CID 159821308
4-(4-hydroxy-3-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
CID 100996434
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]-2-methoxyphenol
CID 137136041
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one (CID 146654025) is 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one is COc1cc(-c2cc(-c3ccc(-c4cscn4)cc3)[nH]c(=O)n2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is JQFHGLZXCWOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-19-8-14(6-7-18(19)24)16-9-15(22-20(25)23-16)12-2-4-13(5-3-12)17-10-27-11-21-17/h2-11,24H,1H3,(H,22,23,25).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one?
4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 377.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 146654025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).