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

C8H10N4O2S — CID 135972263

IUPAC2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C8H10N4O2S/c1-2-3-4-5(13)10-8-12(6(4)14)11-7(9)15-8/h13H,2-3H2,1H3,(H2,9,11)
InChIKeyFHRRRJDVVBWSKN-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.39
Rot. Bonds2

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

2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135972263) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID135972263
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1c(O)nc2sc(N)nn2c1=O
InChIInChI=1S/C8H10N4O2S/c1-2-3-4-5(13)10-8-12(6(4)14)11-7(9)15-8/h13H,2-3H2,1H3,(H2,9,11)
InChIKeyFHRRRJDVVBWSKN-UHFFFAOYSA-N
XLogP0.39
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.39
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-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135972263) is 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1c(O)nc2sc(N)nn2c1=O.
What is the InChIKey of 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FHRRRJDVVBWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-2-3-4-5(13)10-8-12(6(4)14)11-7(9)15-8/h13H,2-3H2,1H3,(H2,9,11).
What are the key properties of 2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-amino-7-hydroxy-6-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 226.26 g/mol, XLogP of 0.39, 2 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-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).