2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C7H8N4O2S — CID 135972272

IUPAC2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C7H8N4O2S/c1-2-3-4(12)9-7-11(5(3)13)10-6(8)14-7/h12H,2H2,1H3,(H2,8,10)
InChIKeyONOLXYGECGREEO-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.00
Rot. Bonds1

About 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135972272) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID135972272
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C7H8N4O2S/c1-2-3-4(12)9-7-11(5(3)13)10-6(8)14-7/h12H,2H2,1H3,(H2,8,10)
InChIKeyONOLXYGECGREEO-UHFFFAOYSA-N
XLogP0.00
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-Ethyl-2-(ethylthio)-7-hydroxy-5H-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one
CID 135735554
5-Ethyl-2-(methylthio)pyrimidine-4,6-diol
CID 12487424
2,7-Diamino-6-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 64322928
2,7-Diamino-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 64325417
2,7-Diamino-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 64325418
2,7-Diamino-6-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 64325799
2-Amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135972263
2-Amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135972264
2-Amino-7-hydroxy-6-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135972273

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135972272) is 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1c(O)nc2sc(N)nn2c1=O.
What is the InChIKey of 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ONOLXYGECGREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-2-3-4(12)9-7-11(5(3)13)10-6(8)14-7/h12H,2H2,1H3,(H2,8,10).
What are the key properties of 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 212.23 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135972272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).