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

C15H19BrN4 — CID 103083846

IUPAC[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1-c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-9-7-10(16)5-6-11(9)14-18-12(15(2,3)4)8-13(19-14)20-17/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyZWGCMYSQVJCCIE-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.80
Rot. Bonds2

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

[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine (PubChem CID 103083846) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
PubChem CID103083846
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1-c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-9-7-10(16)5-6-11(9)14-18-12(15(2,3)4)8-13(19-14)20-17/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyZWGCMYSQVJCCIE-UHFFFAOYSA-N
XLogP3.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.80
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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Related Compounds

2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62251429
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62944421
[2-(5-bromofuran-2-yl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252786
[6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 62251619
[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
CID 62251107
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290
[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62252179
[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62251106
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
CID 62252923
[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 115525374

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine (CID 103083846) is [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine is Cc1cc(Br)ccc1-c1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
The InChIKey is ZWGCMYSQVJCCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9-7-10(16)5-6-11(9)14-18-12(15(2,3)4)8-13(19-14)20-17/h5-8H,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine?
[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103083846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).