6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine

C6H7N3O2S — CID 105441509

IUPAC6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C6H7N3O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2,(H2,7,8,9)
InChIKeyWABWOCWJWXWGEX-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.51
Rot. Bonds

About 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine

6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine (PubChem CID 105441509) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
PubChem CID105441509
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C6H7N3O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2,(H2,7,8,9)
InChIKeyWABWOCWJWXWGEX-UHFFFAOYSA-N
XLogP-0.51
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine (CID 105441509) is 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine is Nc1ncc2c(n1)CS(=O)(=O)C2.
What is the InChIKey of 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
The InChIKey is WABWOCWJWXWGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2,(H2,7,8,9).
What are the key properties of 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine?
6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine has a molecular weight of 185.21 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 105441509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).