[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine

C8H10BrF3N4O — CID 82793945

IUPAC[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4O/c9-5-4-14-7(16-13)15-6(5)17-3-1-2-8(10,11)12/h4H,1-3,13H2,(H,14,15,16)
InChIKeyJUKXCHDYRUTCLW-UHFFFAOYSA-N
MW315.09 g/mol
LogP2.25
Rot. Bonds5

About [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine (PubChem CID 82793945) has the molecular formula C8H10BrF3N4O and a molecular weight of 315.09 g/mol. Its IUPAC name is [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
PubChem CID82793945
Molecular FormulaC8H10BrF3N4O
Molecular Weight315.09 g/mol
Exact Mass314.00
IUPAC Name[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(Br)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4O/c9-5-4-14-7(16-13)15-6(5)17-3-1-2-8(10,11)12/h4H,1-3,13H2,(H,14,15,16)
InChIKeyJUKXCHDYRUTCLW-UHFFFAOYSA-N
XLogP2.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine (CID 82793945) is [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine is NNc1ncc(Br)c(OCCCC(F)(F)F)n1.
What is the InChIKey of [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is JUKXCHDYRUTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N4O/c9-5-4-14-7(16-13)15-6(5)17-3-1-2-8(10,11)12/h4H,1-3,13H2,(H,14,15,16).
What are the key properties of [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 315.09 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4,4,4-trifluorobutoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 82793945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).