[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine

C13H15BrN4O2 — CID 80916147

IUPAC[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCCOc1ccc(Oc2nc(NN)ncc2Br)cc1
InChIInChI=1S/C13H15BrN4O2/c1-2-7-19-9-3-5-10(6-4-9)20-12-11(14)8-16-13(17-12)18-15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18)
InChIKeyVCOZZPRKYVFWNC-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.11
Rot. Bonds6

About [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80916147) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80916147
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCCOc1ccc(Oc2nc(NN)ncc2Br)cc1
InChIInChI=1S/C13H15BrN4O2/c1-2-7-19-9-3-5-10(6-4-9)20-12-11(14)8-16-13(17-12)18-15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18)
InChIKeyVCOZZPRKYVFWNC-UHFFFAOYSA-N
XLogP3.11
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[5-bromo-4-(2-phenoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80908991
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
(5-fluoro-4-propoxypyrimidin-2-yl)hydrazine
CID 80911557
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
CID 80862412
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
CID 116806928
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine (CID 80916147) is [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine is CCCOc1ccc(Oc2nc(NN)ncc2Br)cc1.
What is the InChIKey of [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is VCOZZPRKYVFWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-7-19-9-3-5-10(6-4-9)20-12-11(14)8-16-13(17-12)18-15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18).
What are the key properties of [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 339.19 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80916147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).