[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C12H11F3N4O2 — CID 114567735

IUPAC[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(Oc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C12H11F3N4O2/c1-20-7-3-2-4-8(5-7)21-10-6-9(12(13,14)15)17-11(18-10)19-16/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyVJIGRHJXXMIQDP-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.58
Rot. Bonds4

About [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567735) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567735
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCOc1cccc(Oc2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C12H11F3N4O2/c1-20-7-3-2-4-8(5-7)21-10-6-9(12(13,14)15)17-11(18-10)19-16/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyVJIGRHJXXMIQDP-UHFFFAOYSA-N
XLogP2.58
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
4-(3-methoxyphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033825
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80916371
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
4-(4-bromo-3-methylphenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566596
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567735) is [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is COc1cccc(Oc2cc(C(F)(F)F)nc(NN)n2)c1.
What is the InChIKey of [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is VJIGRHJXXMIQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-20-7-3-2-4-8(5-7)21-10-6-9(12(13,14)15)17-11(18-10)19-16/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 300.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).