[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

C13H14F2N4O — CID 62250939

IUPAC[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2ccccc2OC(F)F)nc(NN)c1C
InChIInChI=1S/C13H14F2N4O/c1-7-8(2)17-12(18-11(7)19-16)9-5-3-4-6-10(9)20-13(14)15/h3-6,13H,16H2,1-2H3,(H,17,18,19)
InChIKeyMEQUWZZBEIMRFD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.65
Rot. Bonds4

About [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 62250939) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID62250939
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2ccccc2OC(F)F)nc(NN)c1C
InChIInChI=1S/C13H14F2N4O/c1-7-8(2)17-12(18-11(7)19-16)9-5-3-4-6-10(9)20-13(14)15/h3-6,13H,16H2,1-2H3,(H,17,18,19)
InChIKeyMEQUWZZBEIMRFD-UHFFFAOYSA-N
XLogP2.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.65
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

[5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-yl]hydrazine
CID 62251303
[5,6-dimethyl-2-(2-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252584
[2-(2,3-dimethylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62250013
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
[5,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]hydrazine
CID 62252624
2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 62203120
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
(5,6-dimethyl-2-thiophen-2-ylpyrimidin-4-yl)hydrazine
CID 62250157
5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62226698
ethyl 3-[2-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxylate
CID 63381732
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 62250939) is [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(-c2ccccc2OC(F)F)nc(NN)c1C.
What is the InChIKey of [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is MEQUWZZBEIMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-7-8(2)17-12(18-11(7)19-16)9-5-3-4-6-10(9)20-13(14)15/h3-6,13H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 280.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).