(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine

C8H13BrN4 — CID 53485531

IUPAC(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1ncnc(NN)c1Br
InChIInChI=1S/C8H13BrN4/c1-8(2,3)6-5(9)7(13-10)12-4-11-6/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyCMBJTROISPRCLI-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.82
Rot. Bonds1

About (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine

(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine (PubChem CID 53485531) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine
PubChem CID53485531
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1ncnc(NN)c1Br
InChIInChI=1S/C8H13BrN4/c1-8(2,3)6-5(9)7(13-10)12-4-11-6/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyCMBJTROISPRCLI-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-6-tert-butylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine (CID 53485531) is (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine is CC(C)(C)c1ncnc(NN)c1Br.
What is the InChIKey of (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine?
The InChIKey is CMBJTROISPRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-8(2,3)6-5(9)7(13-10)12-4-11-6/h4H,10H2,1-3H3,(H,11,12,13).
What are the key properties of (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine?
(5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine has a molecular weight of 245.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-tert-butylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 53485531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).