[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine

C13H14F2N4O2 — CID 62251868

IUPAC[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine
SMILESCCOc1cc(-c2nccc(NN)n2)ccc1OC(F)F
InChIInChI=1S/C13H14F2N4O2/c1-2-20-10-7-8(3-4-9(10)21-13(14)15)12-17-6-5-11(18-12)19-16/h3-7,13H,2,16H2,1H3,(H,17,18,19)
InChIKeyZADSUIKHCJSZLW-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.43
Rot. Bonds6

About [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine

[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine (PubChem CID 62251868) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine
PubChem CID62251868
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine
SMILESCCOc1cc(-c2nccc(NN)n2)ccc1OC(F)F
InChIInChI=1S/C13H14F2N4O2/c1-2-20-10-7-8(3-4-9(10)21-13(14)15)12-17-6-5-11(18-12)19-16/h3-7,13H,2,16H2,1H3,(H,17,18,19)
InChIKeyZADSUIKHCJSZLW-UHFFFAOYSA-N
XLogP2.43
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.43
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-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
CID 43654747
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
CID 62482978
[2-(4-chloro-3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62251681
6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
CID 64690125
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712119
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 68699542
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine (CID 62251868) is [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine is CCOc1cc(-c2nccc(NN)n2)ccc1OC(F)F.
What is the InChIKey of [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine?
The InChIKey is ZADSUIKHCJSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-2-20-10-7-8(3-4-9(10)21-13(14)15)12-17-6-5-11(18-12)19-16/h3-7,13H,2,16H2,1H3,(H,17,18,19).
What are the key properties of [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine?
[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine has a molecular weight of 296.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).