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

C10H12BrN5O2S — CID 80609087

IUPAC5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12BrN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18)
InChIKeySNPDDHFUIKJKHW-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.02
Rot. Bonds5

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

5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 80609087) has the molecular formula C10H12BrN5O2S and a molecular weight of 346.21 g/mol. Its IUPAC name is 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID80609087
Molecular FormulaC10H12BrN5O2S
Molecular Weight346.21 g/mol
Exact Mass344.99
IUPAC Name5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione
SMILESCCCNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12BrN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18)
InChIKeySNPDDHFUIKJKHW-UHFFFAOYSA-N
XLogP1.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.02
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
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
3-(2,4-dioxo(1,3-dihydropyrimidinyl))-N-(5-methyl(1,3,4-thiadiazol-2-yl))propa namide
CID 17016044
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 37682970
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione (CID 80609087) is 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is CCCNc1nnc(Cn2cc(Br)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is SNPDDHFUIKJKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2S/c1-2-3-12-9-15-14-7(19-9)5-16-4-6(11)8(17)13-10(16)18/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18).
What are the key properties of 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione?
5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 346.21 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80609087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).