3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

C8H7ClN4O2S — CID 63800337

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2nnsc2Cl)c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-12-3-2-6(14)13(8(12)15)4-5-7(9)16-11-10-5/h2-3H,4H2,1H3
InChIKeyFGROBMGCAREMRK-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.10
Rot. Bonds2

About 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione

3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63800337) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID63800337
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2nnsc2Cl)c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-12-3-2-6(14)13(8(12)15)4-5-7(9)16-11-10-5/h2-3H,4H2,1H3
InChIKeyFGROBMGCAREMRK-UHFFFAOYSA-N
XLogP0.10
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45828960
6-Amino-1-butyl-5-[(5-chlorothiadiazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 56810737
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-methylpyrazine-2,3-dione
CID 62929786
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 63262007
3-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768325
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-ethyl-5-nitropyrimidine-2,4-dione
CID 63798888
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-nitro-1-propylpyrimidine-2,4-dione
CID 63799941
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-methyl-5-nitropyrimidine-2,4-dione
CID 63800469

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione (CID 63800337) is 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2nnsc2Cl)c1=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is FGROBMGCAREMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-12-3-2-6(14)13(8(12)15)4-5-7(9)16-11-10-5/h2-3H,4H2,1H3.
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 258.69 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63800337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).