[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

C13H14BrFN4O2 — CID 66000247

IUPAC[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(Br)c(-c2nc(C)c(F)c(NN)n2)cc1OC
InChIInChI=1S/C13H14BrFN4O2/c1-6-11(15)13(19-16)18-12(17-6)7-4-9(20-2)10(21-3)5-8(7)14/h4-5H,16H2,1-3H3,(H,17,18,19)
InChIKeyRANRXUIHFKCRCI-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.66
Rot. Bonds4

About [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine

[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 66000247) has the molecular formula C13H14BrFN4O2 and a molecular weight of 357.18 g/mol. Its IUPAC name is [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
PubChem CID66000247
Molecular FormulaC13H14BrFN4O2
Molecular Weight357.18 g/mol
Exact Mass356.03
IUPAC Name[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(Br)c(-c2nc(C)c(F)c(NN)n2)cc1OC
InChIInChI=1S/C13H14BrFN4O2/c1-6-11(15)13(19-16)18-12(17-6)7-4-9(20-2)10(21-3)5-8(7)14/h4-5H,16H2,1-3H3,(H,17,18,19)
InChIKeyRANRXUIHFKCRCI-UHFFFAOYSA-N
XLogP2.66
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine (CID 66000247) is [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is COc1cc(Br)c(-c2nc(C)c(F)c(NN)n2)cc1OC.
What is the InChIKey of [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is RANRXUIHFKCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O2/c1-6-11(15)13(19-16)18-12(17-6)7-4-9(20-2)10(21-3)5-8(7)14/h4-5H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine?
[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 357.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66000247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).