1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione

C7H6Cl2N2O2 — CID 10353434

IUPAC1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C(Cl)=C\Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4-3-11(5(9)2-8)7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13)/b5-2-
InChIKeyGWBVFHQZOVEERJ-DJWKRKHSSA-N
MW221.04 g/mol
LogP1.08
Rot. Bonds1

About 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione

1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione (PubChem CID 10353434) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione
PubChem CID10353434
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C(Cl)=C\Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4-3-11(5(9)2-8)7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13)/b5-2-
InChIKeyGWBVFHQZOVEERJ-DJWKRKHSSA-N
XLogP1.08
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione (CID 10353434) is 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione is Cc1cn(/C(Cl)=C\Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GWBVFHQZOVEERJ-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-4-3-11(5(9)2-8)7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13)/b5-2-.
What are the key properties of 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 221.04 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-dichloroethenyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10353434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).