2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide

C11H14N4OS — CID 2808621

IUPAC2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1ncnc2sccc12
InChIInChI=1S/C11H14N4OS/c1-11(2,3)10(16)15-14-8-7-4-5-17-9(7)13-6-12-8/h4-6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyOQKCKLJQSNACER-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide

2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide (PubChem CID 2808621) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide
PubChem CID2808621
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide
SMILESCC(C)(C)C(=O)NNc1ncnc2sccc12
InChIInChI=1S/C11H14N4OS/c1-11(2,3)10(16)15-14-8-7-4-5-17-9(7)13-6-12-8/h4-6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyOQKCKLJQSNACER-UHFFFAOYSA-N
XLogP2.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide?
The IUPAC name of 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide (CID 2808621) is 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide.
What is the SMILES notation for 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide?
The canonical SMILES for 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide is CC(C)(C)C(=O)NNc1ncnc2sccc12.
What is the InChIKey of 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide?
The InChIKey is OQKCKLJQSNACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-11(2,3)10(16)15-14-8-7-4-5-17-9(7)13-6-12-8/h4-6H,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide?
2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide has a molecular weight of 250.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide is sourced from PubChem (CID 2808621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).