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

C9H10BrN5OS — CID 80608470

IUPAC5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCNc1nnc(Cn2cncc(Br)c2=O)s1
InChIInChI=1S/C9H10BrN5OS/c1-2-12-9-14-13-7(17-9)4-15-5-11-3-6(10)8(15)16/h3,5H,2,4H2,1H3,(H,12,14)
InChIKeyCNZOAGHLFDFGHY-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.34
Rot. Bonds4

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

5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 80608470) has the molecular formula C9H10BrN5OS and a molecular weight of 316.18 g/mol. Its IUPAC name is 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
PubChem CID80608470
Molecular FormulaC9H10BrN5OS
Molecular Weight316.18 g/mol
Exact Mass314.98
IUPAC Name5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCNc1nnc(Cn2cncc(Br)c2=O)s1
InChIInChI=1S/C9H10BrN5OS/c1-2-12-9-14-13-7(17-9)4-15-5-11-3-6(10)8(15)16/h3,5H,2,4H2,1H3,(H,12,14)
InChIKeyCNZOAGHLFDFGHY-UHFFFAOYSA-N
XLogP1.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Bromo-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 80607741
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-iodopyrimidin-4-one
CID 80607743
3-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80607917
3-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80607918
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608016
5-Iodo-2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608115
5-Iodo-2-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608205
3-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 80608294
5-Bromo-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608384
5-Bromo-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608469
3-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-5-bromopyrimidin-4-one
CID 80608563
5-Bromo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (CID 80608470) is 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is CCNc1nnc(Cn2cncc(Br)c2=O)s1.
What is the InChIKey of 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is CNZOAGHLFDFGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5OS/c1-2-12-9-14-13-7(17-9)4-15-5-11-3-6(10)8(15)16/h3,5H,2,4H2,1H3,(H,12,14).
What are the key properties of 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 316.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80608470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).