1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione

C9H9ClN4O2S — CID 66329119

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H9ClN4O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4H2,1H3,(H,11,15,16)
InChIKeyIZUNZIZOVANCGE-UHFFFAOYSA-N
MW272.72 g/mol
LogP0.65
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66329119) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66329119
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H9ClN4O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4H2,1H3,(H,11,15,16)
InChIKeyIZUNZIZOVANCGE-UHFFFAOYSA-N
XLogP0.65
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63557984
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 24595594
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-propylamino]pyrimidine-2,4-dione
CID 24616814
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 34659969
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 43625595
6-Amino-5-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 46582696
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 56810737
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 63262007
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800500
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63800661
1-[(5-Aminothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 65562163
1-[(5-Aminothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328549

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66329119) is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is IZUNZIZOVANCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-2-5-3-14(9(16)11-8(5)15)4-6-7(10)17-13-12-6/h3H,2,4H2,1H3,(H,11,15,16).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 272.72 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66329119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).