[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17BrN4O — CID 107287677

IUPAC[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Br)cc1Oc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H17BrN4O/c1-8(2)14-17-12(19-16)7-13(18-14)20-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyFETCRVDXOFJNKL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.75
Rot. Bonds4

About [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 107287677) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID107287677
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccc(Br)cc1Oc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H17BrN4O/c1-8(2)14-17-12(19-16)7-13(18-14)20-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyFETCRVDXOFJNKL-UHFFFAOYSA-N
XLogP3.75
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430

Frequently Asked Questions

What is the IUPAC name of [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 107287677) is [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1ccc(Br)cc1Oc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is FETCRVDXOFJNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8(2)14-17-12(19-16)7-13(18-14)20-11-6-10(15)5-4-9(11)3/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107287677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).