[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C9H8BrFN4S — CID 115381279

IUPAC[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2sccc2Br)nc(NN)c1F
InChIInChI=1S/C9H8BrFN4S/c1-4-6(11)8(15-12)14-9(13-4)7-5(10)2-3-16-7/h2-3H,12H2,1H3,(H,13,14,15)
InChIKeyJFZKWWGTVXUIEK-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.70
Rot. Bonds2

About [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 115381279) has the molecular formula C9H8BrFN4S and a molecular weight of 303.16 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID115381279
Molecular FormulaC9H8BrFN4S
Molecular Weight303.16 g/mol
Exact Mass301.96
IUPAC Name[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2sccc2Br)nc(NN)c1F
InChIInChI=1S/C9H8BrFN4S/c1-4-6(11)8(15-12)14-9(13-4)7-5(10)2-3-16-7/h2-3H,12H2,1H3,(H,13,14,15)
InChIKeyJFZKWWGTVXUIEK-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.70
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-(4,5-dibromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844249
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
[2-(4-bromo-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 81441244
[2-(3-bromo-5-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66424697
[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000247
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 115381177
[5-fluoro-6-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-yl]hydrazine
CID 114554419
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 115381279) is [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(-c2sccc2Br)nc(NN)c1F.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is JFZKWWGTVXUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4S/c1-4-6(11)8(15-12)14-9(13-4)7-5(10)2-3-16-7/h2-3H,12H2,1H3,(H,13,14,15).
What are the key properties of [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 303.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115381279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).