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

C7H4Cl2N4O2S — CID 66425155

IUPAC5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1Cl
InChIInChI=1S/C7H4Cl2N4O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2H2,(H,10,14,15)
InChIKeyKLORHIRNWDPHPZ-UHFFFAOYSA-N
MW279.11 g/mol
LogP0.74
Rot. Bonds2

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

5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66425155) has the molecular formula C7H4Cl2N4O2S and a molecular weight of 279.11 g/mol. Its IUPAC name is 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID66425155
Molecular FormulaC7H4Cl2N4O2S
Molecular Weight279.11 g/mol
Exact Mass277.94
IUPAC Name5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1Cl
InChIInChI=1S/C7H4Cl2N4O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2H2,(H,10,14,15)
InChIKeyKLORHIRNWDPHPZ-UHFFFAOYSA-N
XLogP0.74
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 50.74
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
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 43625595
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-methylpyrimidine-2,4-dione
CID 63800337
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-Chlorothiadiazol-4-yl)methyl]-5-nitropyrimidine-2,4-dione
CID 63801162
5-Bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 65555516
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329119

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 66425155) is 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2nnsc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is KLORHIRNWDPHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4O2S/c8-3-1-13(7(15)10-6(3)14)2-4-5(9)16-12-11-4/h1H,2H2,(H,10,14,15).
What are the key properties of 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 279.11 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).