4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

C12H13N5O2S — CID 103328728

IUPAC4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(N)nc2sccc12
InChIInChI=1S/C12H13N5O2S/c1-12(2)10(19)14-7(18)5-17(12)8-6-3-4-20-9(6)16-11(13)15-8/h3-4H,5H2,1-2H3,(H2,13,15,16)(H,14,18,19)
InChIKeyKDJMGOKKYFTTSF-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.51
Rot. Bonds1

About 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 103328728) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID103328728
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(N)nc2sccc12
InChIInChI=1S/C12H13N5O2S/c1-12(2)10(19)14-7(18)5-17(12)8-6-3-4-20-9(6)16-11(13)15-8/h3-4H,5H2,1-2H3,(H2,13,15,16)(H,14,18,19)
InChIKeyKDJMGOKKYFTTSF-UHFFFAOYSA-N
XLogP0.51
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (CID 103328728) is 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1nc(N)nc2sccc12.
What is the InChIKey of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is KDJMGOKKYFTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-12(2)10(19)14-7(18)5-17(12)8-6-3-4-20-9(6)16-11(13)15-8/h3-4H,5H2,1-2H3,(H2,13,15,16)(H,14,18,19).
What are the key properties of 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 291.34 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 103328728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).