5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

C8H8BrN5O2S — CID 80608999

IUPAC5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8BrN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16)
InChIKeyPFNFFLAYCNBFEZ-UHFFFAOYSA-N
MW318.16 g/mol
LogP0.24
Rot. Bonds3

About 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione

5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80608999) has the molecular formula C8H8BrN5O2S and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80608999
Molecular FormulaC8H8BrN5O2S
Molecular Weight318.16 g/mol
Exact Mass316.96
IUPAC Name5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H8BrN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16)
InChIKeyPFNFFLAYCNBFEZ-UHFFFAOYSA-N
XLogP0.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-Fluoro-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608648
5-Fluoro-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608733
1-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 80608817
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 80608818
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37684986
3-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
CID 80607736
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]-5-bromopyrimidine-2,4-dione
CID 80607742
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
CID 80607828
1-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608001
1-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608002
1-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80608093

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80608999) is 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is PFNFFLAYCNBFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2S/c1-10-7-13-12-5(17-7)3-14-2-4(9)6(15)11-8(14)16/h2H,3H2,1H3,(H,10,13)(H,11,15,16).
What are the key properties of 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 318.16 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80608999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).