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

C15H19BrN4 — CID 62252179

IUPAC[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H19BrN4/c1-15(2,3)12-9-14(20-17)19-13(18-12)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19,20)
InChIKeySWFHDEORNUQKSI-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.41
Rot. Bonds3

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

[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine (PubChem CID 62252179) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
PubChem CID62252179
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H19BrN4/c1-15(2,3)12-9-14(20-17)19-13(18-12)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19,20)
InChIKeySWFHDEORNUQKSI-UHFFFAOYSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.41
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-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
CID 63485945
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
CID 55189625
6-tert-butyl-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190921
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65132213
[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 103083846
[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66065031
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251621
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
6-tert-butyl-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 63486632
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62251429
[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66072321

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine (CID 62252179) is [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine?
The InChIKey is SWFHDEORNUQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-15(2,3)12-9-14(20-17)19-13(18-12)8-10-4-6-11(16)7-5-10/h4-7,9H,8,17H2,1-3H3,(H,18,19,20).
What are the key properties of [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine?
[2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]-6-tert-butylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).