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

C14H16BrClN4O — CID 81001299

IUPAC[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN4O/c1-7(2)12-18-13(20-17)8(3)14(19-12)21-11-5-4-9(15)6-10(11)16/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyNBWGOIQDLALKAJ-UHFFFAOYSA-N
MW371.67 g/mol
LogP4.40
Rot. Bonds4

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

[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81001299) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81001299
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN4O/c1-7(2)12-18-13(20-17)8(3)14(19-12)21-11-5-4-9(15)6-10(11)16/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyNBWGOIQDLALKAJ-UHFFFAOYSA-N
XLogP4.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 54.40
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-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001190
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
[6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81346637
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
(6-bromo-2-propan-2-ylquinazolin-4-yl)hydrazine
CID 106583906
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81001299) is [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)C)nc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is NBWGOIQDLALKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-7(2)12-18-13(20-17)8(3)14(19-12)21-11-5-4-9(15)6-10(11)16/h4-7H,17H2,1-3H3,(H,18,19,20).
What are the key properties of [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 371.67 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).