2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid

C16H17ClN2O5 — CID 134261744

IUPAC2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1cn(CC(=O)O)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C16H17ClN2O5/c1-9(2)19-15(22)12(7-18(16(19)23)8-14(20)21)11-6-10(17)4-5-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyXWZVNBRSPJUWLP-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.00
Rot. Bonds5

About 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid

2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid (PubChem CID 134261744) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid
PubChem CID134261744
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1cn(CC(=O)O)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C16H17ClN2O5/c1-9(2)19-15(22)12(7-18(16(19)23)8-14(20)21)11-6-10(17)4-5-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyXWZVNBRSPJUWLP-UHFFFAOYSA-N
XLogP2.00
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-(2-chloro-3-fluorophenyl)-3-[(2S)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 121437310
2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 134261752
2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79021174
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
(5-chloro-2-methoxyphenyl)sulfanylformic acid
CID 117033458
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
5-(2-chloro-3-methoxyphenyl)-1-[2-[4-(8-methoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-3-propan-2-ylpyrimidine-2,4-dione
CID 157088561
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid (CID 134261744) is 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid is COc1ccc(Cl)cc1-c1cn(CC(=O)O)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid?
The InChIKey is XWZVNBRSPJUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-9(2)19-15(22)12(7-18(16(19)23)8-14(20)21)11-6-10(17)4-5-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21).
What are the key properties of 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid?
2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid has a molecular weight of 352.77 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetic acid is sourced from PubChem (CID 134261744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).