[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine

C12H13BrN4 — CID 105214865

IUPAC[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)c1cncnc1
InChIInChI=1S/C12H13BrN4/c13-11-4-2-1-3-9(11)5-12(17-14)10-6-15-8-16-7-10/h1-4,6-8,12,17H,5,14H2
InChIKeyJDTZTRKXBKEXSX-UHFFFAOYSA-N
MW293.17 g/mol
LogP1.99
Rot. Bonds4

About [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine

[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine (PubChem CID 105214865) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
PubChem CID105214865
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccccc1Br)c1cncnc1
InChIInChI=1S/C12H13BrN4/c13-11-4-2-1-3-9(11)5-12(17-14)10-6-15-8-16-7-10/h1-4,6-8,12,17H,5,14H2
InChIKeyJDTZTRKXBKEXSX-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 51.99
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-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
[2-(2-bromophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196639
[2-(2-bromophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105214990
[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504978
[2-(2-bromophenyl)-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207988
[2-(2-bromophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221180
[2-(2-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105215016
[2-(4-bromo-2-fluorophenyl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924182
[2-(2-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105283862
(2-naphthalen-2-yl-1-pyrimidin-5-ylethyl)hydrazine
CID 105292158
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[1-(3-bromo-2-methylphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283961

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine (CID 105214865) is [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine is NNC(Cc1ccccc1Br)c1cncnc1.
What is the InChIKey of [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
The InChIKey is JDTZTRKXBKEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-11-4-2-1-3-9(11)5-12(17-14)10-6-15-8-16-7-10/h1-4,6-8,12,17H,5,14H2.
What are the key properties of [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine?
[2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine has a molecular weight of 293.17 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-1-pyrimidin-5-ylethyl]hydrazine is sourced from PubChem (CID 105214865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).