3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one

C8H7ClN4OS — CID 61225132

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2Cl)cn1
InChIInChI=1S/C8H7ClN4OS/c1-5-2-7(14)13(4-10-5)3-6-8(9)15-12-11-6/h2,4H,3H2,1H3
InChIKeyRAFAOJQLEQRQLM-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.10
Rot. Bonds2

About 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one

3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one (PubChem CID 61225132) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
PubChem CID61225132
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nnsc2Cl)cn1
InChIInChI=1S/C8H7ClN4OS/c1-5-2-7(14)13(4-10-5)3-6-8(9)15-12-11-6/h2,4H,3H2,1H3
InChIKeyRAFAOJQLEQRQLM-UHFFFAOYSA-N
XLogP1.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-Chlorothiadiazol-4-yl)methyl]-3-prop-2-enyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 32378732
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 60876232
3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
3-[(5-Chlorothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 63768325
3-[(5-Chlorothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769012
5-Bromo-3-[(5-chlorothiadiazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66307958
5-Bromo-3-[(5-chlorothiadiazol-4-yl)methyl]pyrimidin-4-one
CID 66308483
5-Bromo-3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 66308740
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-iodopyrimidin-4-one
CID 66308850
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340008
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340270
3-[(5-Chlorothiadiazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79366220

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one (CID 61225132) is 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2nnsc2Cl)cn1.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is RAFAOJQLEQRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c1-5-2-7(14)13(4-10-5)3-6-8(9)15-12-11-6/h2,4H,3H2,1H3.
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one?
3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 242.69 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61225132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).