[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C12H12ClFN4O — CID 63086854

IUPAC[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-19-6-8-5-11(18-15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyNMMXQIISDCPTDF-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.37
Rot. Bonds4

About [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 63086854) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID63086854
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-19-6-8-5-11(18-15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyNMMXQIISDCPTDF-UHFFFAOYSA-N
XLogP2.37
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 63086854) is [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NMMXQIISDCPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-19-6-8-5-11(18-15)17-12(16-8)7-2-3-10(14)9(13)4-7/h2-5H,6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 282.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63086854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).