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

C6H6N4O2S — CID 135972264

IUPAC2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C6H6N4O2S/c1-2-3(11)8-6-10(4(2)12)9-5(7)13-6/h11H,1H3,(H2,7,9)
InChIKeyUELLVVMEUODPES-UHFFFAOYSA-N
MW198.21 g/mol
LogP-0.25
Rot. Bonds

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

2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135972264) has the molecular formula C6H6N4O2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID135972264
Molecular FormulaC6H6N4O2S
Molecular Weight198.21 g/mol
Exact Mass198.02
IUPAC Name2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C6H6N4O2S/c1-2-3(11)8-6-10(4(2)12)9-5(7)13-6/h11H,1H3,(H2,7,9)
InChIKeyUELLVVMEUODPES-UHFFFAOYSA-N
XLogP-0.25
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135972264) is 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1c(O)nc2sc(N)nn2c1=O.
What is the InChIKey of 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UELLVVMEUODPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S/c1-2-3(11)8-6-10(4(2)12)9-5(7)13-6/h11H,1H3,(H2,7,9).
What are the key properties of 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 198.21 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135972264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).