[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C10H10BrFN4S — CID 102844248

IUPAC[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Br)c(C)s2)nc(NN)c1F
InChIInChI=1S/C10H10BrFN4S/c1-4-8(12)10(16-13)15-9(14-4)7-3-6(11)5(2)17-7/h3H,13H2,1-2H3,(H,14,15,16)
InChIKeyJMAFZMJUPOIWQC-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.01
Rot. Bonds2

About [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 102844248) has the molecular formula C10H10BrFN4S and a molecular weight of 317.19 g/mol. Its IUPAC name is [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID102844248
Molecular FormulaC10H10BrFN4S
Molecular Weight317.19 g/mol
Exact Mass315.98
IUPAC Name[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(Br)c(C)s2)nc(NN)c1F
InChIInChI=1S/C10H10BrFN4S/c1-4-8(12)10(16-13)15-9(14-4)7-3-6(11)5(2)17-7/h3H,13H2,1-2H3,(H,14,15,16)
InChIKeyJMAFZMJUPOIWQC-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.01
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-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-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000247
[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
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 102842233
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843853
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
[2-(4,5-dimethylthiophen-2-yl)quinazolin-4-yl]hydrazine
CID 65238013
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 102844248) is [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(Br)c(C)s2)nc(NN)c1F.
What is the InChIKey of [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is JMAFZMJUPOIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4S/c1-4-8(12)10(16-13)15-9(14-4)7-3-6(11)5(2)17-7/h3H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 317.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102844248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).