[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine

C14H17BrN4 — CID 62251429

IUPAC[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyICHDRANXKAKGTN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.49
Rot. Bonds2

About [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine

[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine (PubChem CID 62251429) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
PubChem CID62251429
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyICHDRANXKAKGTN-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.49
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 [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine (CID 62251429) is [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(-c2ccccc2Br)n1.
What is the InChIKey of [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The InChIKey is ICHDRANXKAKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-14(2,3)11-8-12(19-16)18-13(17-11)9-6-4-5-7-10(9)15/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine has a molecular weight of 321.22 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).