[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

C15H20N4O — CID 80968329

IUPAC[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2cc(NN)nc(C(C)C)n2)c1C
InChIInChI=1S/C15H20N4O/c1-9(2)15-17-13(19-16)8-14(18-15)20-12-7-5-6-10(3)11(12)4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyJUOQVHLXMWHNHX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.29
Rot. Bonds4

About [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80968329) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80968329
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cccc(Oc2cc(NN)nc(C(C)C)n2)c1C
InChIInChI=1S/C15H20N4O/c1-9(2)15-17-13(19-16)8-14(18-15)20-12-7-5-6-10(3)11(12)4/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeyJUOQVHLXMWHNHX-UHFFFAOYSA-N
XLogP3.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.29
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-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980378
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966343
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 43517247
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
2-bromo-6-(2,3-dimethylphenoxy)pyridine
CID 63961920
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80968329) is [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1cccc(Oc2cc(NN)nc(C(C)C)n2)c1C.
What is the InChIKey of [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is JUOQVHLXMWHNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)15-17-13(19-16)8-14(18-15)20-12-7-5-6-10(3)11(12)4/h5-9H,16H2,1-4H3,(H,17,18,19).
What are the key properties of [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 272.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).