4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione

C7H9N3S2 — CID 83871596

IUPAC4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
SMILESNc1nc(=S)[nH]c2c1CSCC2
InChIInChI=1S/C7H9N3S2/c8-6-4-3-12-2-1-5(4)9-7(11)10-6/h1-3H2,(H3,8,9,10,11)
InChIKeyLXSFBPXLFBIAOA-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.51
Rot. Bonds

About 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione

4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione (PubChem CID 83871596) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
PubChem CID83871596
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
SMILESNc1nc(=S)[nH]c2c1CSCC2
InChIInChI=1S/C7H9N3S2/c8-6-4-3-12-2-1-5(4)9-7(11)10-6/h1-3H2,(H3,8,9,10,11)
InChIKeyLXSFBPXLFBIAOA-UHFFFAOYSA-N
XLogP1.51
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione?
The IUPAC name of 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione (CID 83871596) is 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione is Nc1nc(=S)[nH]c2c1CSCC2.
What is the InChIKey of 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione?
The InChIKey is LXSFBPXLFBIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c8-6-4-3-12-2-1-5(4)9-7(11)10-6/h1-3H2,(H3,8,9,10,11).
What are the key properties of 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione?
4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione has a molecular weight of 199.30 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 83871596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).