[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

C13H15BrN4O — CID 80969261

IUPAC[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4O/c1-8(2)13-16-11(18-15)7-12(17-13)19-10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyKTTFAOLPSRQHSE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.44
Rot. Bonds4

About [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80969261) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80969261
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4O/c1-8(2)13-16-11(18-15)7-12(17-13)19-10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyKTTFAOLPSRQHSE-UHFFFAOYSA-N
XLogP3.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.44
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-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963572
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80969261) is [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is KTTFAOLPSRQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8(2)13-16-11(18-15)7-12(17-13)19-10-5-3-9(14)4-6-10/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80969261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).