5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

C8H7BrN4OS — CID 164653696

IUPAC5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cncc(Br)c2=O)s1
InChIInChI=1S/C8H7BrN4OS/c1-5-11-12-7(15-5)3-13-4-10-2-6(9)8(13)14/h2,4H,3H2,1H3
InChIKeyMKJCRBBKEKVNLU-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.21
Rot. Bonds2

About 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 164653696) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
PubChem CID164653696
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC Name5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cncc(Br)c2=O)s1
InChIInChI=1S/C8H7BrN4OS/c1-5-11-12-7(15-5)3-13-4-10-2-6(9)8(13)14/h2,4H,3H2,1H3
InChIKeyMKJCRBBKEKVNLU-UHFFFAOYSA-N
XLogP1.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
CID 132322347
5-Bromo-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608384
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidin-4-one
CID 80608563
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 80609001
5-Bromo-3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
CID 80610240
5-Bromo-3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-6-methylpyrimidin-4-one
CID 80610241
5-Bromo-3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-one
CID 80610473
5-Iodo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 164661581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (CID 164653696) is 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is Cc1nnc(Cn2cncc(Br)c2=O)s1.
What is the InChIKey of 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is MKJCRBBKEKVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c1-5-11-12-7(15-5)3-13-4-10-2-6(9)8(13)14/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 287.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 164653696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).