[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

C16H22N4O — CID 81001190

IUPAC[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cc(C)cc(Oc2nc(C(C)C)nc(NN)c2C)c1
InChIInChI=1S/C16H22N4O/c1-9(2)14-18-15(20-17)12(5)16(19-14)21-13-7-10(3)6-11(4)8-13/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyRTWJBWXTXAWTPO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.60
Rot. Bonds4

About [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81001190) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81001190
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1cc(C)cc(Oc2nc(C(C)C)nc(NN)c2C)c1
InChIInChI=1S/C16H22N4O/c1-9(2)14-18-15(20-17)12(5)16(19-14)21-13-7-10(3)6-11(4)8-13/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyRTWJBWXTXAWTPO-UHFFFAOYSA-N
XLogP3.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.60
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-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
[6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81346637
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
[5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806864
[6-(2,2-difluoroethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82010198
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
[5-methyl-6-(4-methylcyclohexyl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001712
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
[5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114471275
[6-(4,4-dimethylcyclohexyl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114343032
[5-methyl-6-(1-methylpiperidin-4-yl)oxy-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001207
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81001190) is [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1cc(C)cc(Oc2nc(C(C)C)nc(NN)c2C)c1.
What is the InChIKey of [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is RTWJBWXTXAWTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9(2)14-18-15(20-17)12(5)16(19-14)21-13-7-10(3)6-11(4)8-13/h6-9H,17H2,1-5H3,(H,18,19,20).
What are the key properties of [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).