[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine

C16H22N4O — CID 80910696

IUPAC[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-9(2)14-15(20-17)18-8-19-16(14)21-13-7-10(3)6-11(4)12(13)5/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyYRFNOFLEZIEAPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.60
Rot. Bonds4

About [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine

[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80910696) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80910696
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(C)c(C)c(Oc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C16H22N4O/c1-9(2)14-15(20-17)18-8-19-16(14)21-13-7-10(3)6-11(4)12(13)5/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyYRFNOFLEZIEAPD-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

N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80913312
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473

Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine (CID 80910696) is [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine is Cc1cc(C)c(C)c(Oc2ncnc(NN)c2C(C)C)c1.
What is the InChIKey of [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is YRFNOFLEZIEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9(2)14-15(20-17)18-8-19-16(14)21-13-7-10(3)6-11(4)12(13)5/h6-9H,17H2,1-5H3,(H,18,19,20).
What are the key properties of [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine?
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-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 [5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).