2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one

C7H9N3OS — CID 135841625

IUPAC2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)SCCC2
InChIInChI=1S/C7H9N3OS/c8-7-9-4-2-1-3-12-5(4)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyOVSRTBOZBHONQW-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.39
Rot. Bonds

About 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one

2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one (PubChem CID 135841625) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one
PubChem CID135841625
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)SCCC2
InChIInChI=1S/C7H9N3OS/c8-7-9-4-2-1-3-12-5(4)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKeyOVSRTBOZBHONQW-UHFFFAOYSA-N
XLogP0.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one (CID 135841625) is 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)SCCC2.
What is the InChIKey of 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one?
The InChIKey is OVSRTBOZBHONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-7-9-4-2-1-3-12-5(4)6(11)10-7/h1-3H2,(H3,8,9,10,11).
What are the key properties of 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one?
2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one has a molecular weight of 183.24 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135841625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).