[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C9H7Br2FN4S — CID 102844249

IUPAC[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Br)c(Br)s2)nc(NN)c1F
InChIInChI=1S/C9H7Br2FN4S/c1-3-6(12)9(16-13)15-8(14-3)5-2-4(10)7(11)17-5/h2H,13H2,1H3,(H,14,15,16)
InChIKeyVTIQTHNTTDTMMK-UHFFFAOYSA-N
MW382.06 g/mol
LogP3.46
Rot. Bonds2

About [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 102844249) has the molecular formula C9H7Br2FN4S and a molecular weight of 382.06 g/mol. Its IUPAC name is [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID102844249
Molecular FormulaC9H7Br2FN4S
Molecular Weight382.06 g/mol
Exact Mass379.87
IUPAC Name[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Br)c(Br)s2)nc(NN)c1F
InChIInChI=1S/C9H7Br2FN4S/c1-3-6(12)9(16-13)15-8(14-3)5-2-4(10)7(11)17-5/h2H,13H2,1H3,(H,14,15,16)
InChIKeyVTIQTHNTTDTMMK-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.06
LogP ≤ 53.46
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-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
[2-(4-bromo-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 81441244
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115381279
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000247
[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
[2-(1,5-dimethylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 79584800

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 102844249) is [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(Br)c(Br)s2)nc(NN)c1F.
What is the InChIKey of [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is VTIQTHNTTDTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FN4S/c1-3-6(12)9(16-13)15-8(14-3)5-2-4(10)7(11)17-5/h2H,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 382.06 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102844249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).