[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

C12H10BrFN4S — CID 83200923

IUPAC[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(F)cc(Br)c2)nc2c1CSC2
InChIInChI=1S/C12H10BrFN4S/c13-7-1-6(2-8(14)3-7)11-16-10-5-19-4-9(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18)
InChIKeyZRQFYSVZWBWRGE-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.08
Rot. Bonds2

About [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83200923) has the molecular formula C12H10BrFN4S and a molecular weight of 341.21 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83200923
Molecular FormulaC12H10BrFN4S
Molecular Weight341.21 g/mol
Exact Mass339.98
IUPAC Name[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(F)cc(Br)c2)nc2c1CSC2
InChIInChI=1S/C12H10BrFN4S/c13-7-1-6(2-8(14)3-7)11-16-10-5-19-4-9(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18)
InChIKeyZRQFYSVZWBWRGE-UHFFFAOYSA-N
XLogP3.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
[2-(3-fluoro-4-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201198
[2-(4-fluoro-3-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 107922932
[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201592
[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200526
[2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200762
[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191661
[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200934
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484
2-(3-bromo-5-fluorophenyl)-4,6-dichloropyrimidine
CID 66423622
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83200923) is [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2cc(F)cc(Br)c2)nc2c1CSC2.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ZRQFYSVZWBWRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4S/c13-7-1-6(2-8(14)3-7)11-16-10-5-19-4-9(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18).
What are the key properties of [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 341.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83200923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).