2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride

C8H9ClN2O3 — CID 130012614

IUPAC2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride
SMILESCc1c(C)n(CC(=O)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H9ClN2O3/c1-4-5(2)11(3-6(9)12)8(14)10-7(4)13/h3H2,1-2H3,(H,10,13,14)
InChIKeyUKHOOTZLYANMFP-UHFFFAOYSA-N
MW216.62 g/mol
LogP-0.08
Rot. Bonds2

About 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride

2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride (PubChem CID 130012614) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride
PubChem CID130012614
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride
SMILESCc1c(C)n(CC(=O)Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H9ClN2O3/c1-4-5(2)11(3-6(9)12)8(14)10-7(4)13/h3H2,1-2H3,(H,10,13,14)
InChIKeyUKHOOTZLYANMFP-UHFFFAOYSA-N
XLogP-0.08
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)hexyl 2,4-dimethylcyclopentane-1-carboxylate
CID 166946524
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
CID 151232470
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
ethane;1-[[6-fluoro-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione
CID 145421570
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
CID 13014883
5,6-dimethyl-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 10262098
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride?
The IUPAC name of 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride (CID 130012614) is 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride.
What is the SMILES notation for 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride?
The canonical SMILES for 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride is Cc1c(C)n(CC(=O)Cl)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride?
The InChIKey is UKHOOTZLYANMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-4-5(2)11(3-6(9)12)8(14)10-7(4)13/h3H2,1-2H3,(H,10,13,14).
What are the key properties of 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride?
2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride has a molecular weight of 216.62 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride is sourced from PubChem (CID 130012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).