[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine

C14H18N4O — CID 80916193

IUPAC[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCC(C)c1ccccc1Oc1ccnc(NN)n1
InChIInChI=1S/C14H18N4O/c1-3-10(2)11-6-4-5-7-12(11)19-13-8-9-16-14(17-13)18-15/h4-10H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyOLVIDJWXJQNGBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds5

About [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine

[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80916193) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80916193
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCCC(C)c1ccccc1Oc1ccnc(NN)n1
InChIInChI=1S/C14H18N4O/c1-3-10(2)11-6-4-5-7-12(11)19-13-8-9-16-14(17-13)18-15/h4-10H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyOLVIDJWXJQNGBM-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
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

[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80915964
4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80864811
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134

Frequently Asked Questions

What is the IUPAC name of [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine (CID 80916193) is [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine is CCC(C)c1ccccc1Oc1ccnc(NN)n1.
What is the InChIKey of [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is OLVIDJWXJQNGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-10(2)11-6-4-5-7-12(11)19-13-8-9-16-14(17-13)18-15/h4-10H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine?
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 258.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80916193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).