[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H18N4OS — CID 116777433

IUPAC[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(CC)(OC)c1nc(NN)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-4-12(5-2,17-3)11-14-9(16-13)8-6-7-18-10(8)15-11/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyXDQKTLOHIUCXLU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.64
Rot. Bonds5

About [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 116777433) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID116777433
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(CC)(OC)c1nc(NN)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-4-12(5-2,17-3)11-14-9(16-13)8-6-7-18-10(8)15-11/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyXDQKTLOHIUCXLU-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775412
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
methyl 3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 55051000
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965201
N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
CID 62245884
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777429
[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777447
[2-[methoxy(phenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777438

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 116777433) is [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCC(CC)(OC)c1nc(NN)c2ccsc2n1.
What is the InChIKey of [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XDQKTLOHIUCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-12(5-2,17-3)11-14-9(16-13)8-6-7-18-10(8)15-11/h6-7H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 266.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypentan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).