5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione

C11H13ClN2O3 — CID 106438781

IUPAC5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(C)=CCl)c(=O)n(C)c1=O
InChIInChI=1S/C11H13ClN2O3/c1-7(4-12)5-14-6-9(8(2)15)10(16)13(3)11(14)17/h4,6H,5H2,1-3H3
InChIKeyMXUZAXGYKOJHAC-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.89
Rot. Bonds3

About 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione (PubChem CID 106438781) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione
PubChem CID106438781
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(C)=CCl)c(=O)n(C)c1=O
InChIInChI=1S/C11H13ClN2O3/c1-7(4-12)5-14-6-9(8(2)15)10(16)13(3)11(14)17/h4,6H,5H2,1-3H3
InChIKeyMXUZAXGYKOJHAC-UHFFFAOYSA-N
XLogP0.89
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione (CID 106438781) is 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CC(C)=CCl)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is MXUZAXGYKOJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(4-12)5-14-6-9(8(2)15)10(16)13(3)11(14)17/h4,6H,5H2,1-3H3.
What are the key properties of 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 256.69 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(3-chloro-2-methylprop-2-enyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 106438781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).