1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione

C7H6BrN5O2S — CID 80607742

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione
SMILESNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C7H6BrN5O2S/c8-3-1-13(7(15)10-5(3)14)2-4-11-12-6(9)16-4/h1H,2H2,(H2,9,12)(H,10,14,15)
InChIKeyCVAZHTHWLKMJFK-UHFFFAOYSA-N
MW304.13 g/mol
LogP-0.22
Rot. Bonds2

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione (PubChem CID 80607742) has the molecular formula C7H6BrN5O2S and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione
PubChem CID80607742
Molecular FormulaC7H6BrN5O2S
Molecular Weight304.13 g/mol
Exact Mass302.94
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione
SMILESNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C7H6BrN5O2S/c8-3-1-13(7(15)10-5(3)14)2-4-11-12-6(9)16-4/h1H,2H2,(H2,9,12)(H,10,14,15)
InChIKeyCVAZHTHWLKMJFK-UHFFFAOYSA-N
XLogP-0.22
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608648
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 80608818
5-Fluoro-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 80614306
5-Bromo-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80607741
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 80608094
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidin-4-one
CID 80608563
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-methylpyrimidine-2,4-dione
CID 80608741
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 80608820
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-chloropyrimidine-2,4-dione
CID 80608829
5-Bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608999
5-Bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80609087
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 80609170

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione (CID 80607742) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione is Nc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione?
The InChIKey is CVAZHTHWLKMJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5O2S/c8-3-1-13(7(15)10-5(3)14)2-4-11-12-6(9)16-4/h1H,2H2,(H2,9,12)(H,10,14,15).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione has a molecular weight of 304.13 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 80607742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).