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

C13H10Cl2N4OS — CID 62246555

IUPAC[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2ccc(Cl)c(Cl)c2)nc2sccc12
InChIInChI=1S/C13H10Cl2N4OS/c14-9-2-1-7(5-10(9)15)20-6-11-17-12(19-16)8-3-4-21-13(8)18-11/h1-5H,6,16H2,(H,17,18,19)
InChIKeyXXEQFGTUICDFTH-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.86
Rot. Bonds4

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

[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62246555) has the molecular formula C13H10Cl2N4OS and a molecular weight of 341.22 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62246555
Molecular FormulaC13H10Cl2N4OS
Molecular Weight341.22 g/mol
Exact Mass340.00
IUPAC Name[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COc2ccc(Cl)c(Cl)c2)nc2sccc12
InChIInChI=1S/C13H10Cl2N4OS/c14-9-2-1-7(5-10(9)15)20-6-11-17-12(19-16)8-3-4-21-13(8)18-11/h1-5H,6,16H2,(H,17,18,19)
InChIKeyXXEQFGTUICDFTH-UHFFFAOYSA-N
XLogP3.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.86
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-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244527
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62246555) is [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(COc2ccc(Cl)c(Cl)c2)nc2sccc12.
What is the InChIKey of [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XXEQFGTUICDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4OS/c14-9-2-1-7(5-10(9)15)20-6-11-17-12(19-16)8-3-4-21-13(8)18-11/h1-5H,6,16H2,(H,17,18,19).
What are the key properties of [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 341.22 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62246555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).