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

C8H7ClN4O2S — CID 63262007

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-4-2-13(8(15)10-7(4)14)3-5-6(9)16-12-11-5/h2H,3H2,1H3,(H,10,14,15)
InChIKeyUAOQXIXRGAJMDA-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.40
Rot. Bonds2

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

1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 63262007) has the molecular formula C8H7ClN4O2S and a molecular weight of 258.69 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID63262007
Molecular FormulaC8H7ClN4O2S
Molecular Weight258.69 g/mol
Exact Mass258.00
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H7ClN4O2S/c1-4-2-13(8(15)10-7(4)14)3-5-6(9)16-12-11-5/h2H,3H2,1H3,(H,10,14,15)
InChIKeyUAOQXIXRGAJMDA-UHFFFAOYSA-N
XLogP0.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.40
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
3-[(5-Chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45828960
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
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
5-Bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 65555516

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (CID 63262007) is 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2nnsc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UAOQXIXRGAJMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S/c1-4-2-13(8(15)10-7(4)14)3-5-6(9)16-12-11-5/h2H,3H2,1H3,(H,10,14,15).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 258.69 g/mol, XLogP of 0.40, 2 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-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63262007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).