6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

C7H9N3O2S — CID 63548744

IUPAC6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCS(=O)(=O)C2
InChIInChI=1S/C7H9N3O2S/c8-7-9-3-5-4-13(11,12)2-1-6(5)10-7/h3H,1-2,4H2,(H2,8,9,10)
InChIKeyGRJBSSOGESJRRW-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.47
Rot. Bonds

About 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 63548744) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID63548744
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCS(=O)(=O)C2
InChIInChI=1S/C7H9N3O2S/c8-7-9-3-5-4-13(11,12)2-1-6(5)10-7/h3H,1-2,4H2,(H2,8,9,10)
InChIKeyGRJBSSOGESJRRW-UHFFFAOYSA-N
XLogP-0.47
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 63548744) is 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCS(=O)(=O)C2.
What is the InChIKey of 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is GRJBSSOGESJRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c8-7-9-3-5-4-13(11,12)2-1-6(5)10-7/h3H,1-2,4H2,(H2,8,9,10).
What are the key properties of 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 63548744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).