6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine

C10H6BrFN4O3 — CID 116798026

IUPAC6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6BrFN4O3/c11-7-4-8(13)15-10(14-7)19-9-5(12)2-1-3-6(9)16(17)18/h1-4H,(H2,13,14,15)
InChIKeyGQLIMONTDGMFRF-UHFFFAOYSA-N
MW329.09 g/mol
LogP2.66
Rot. Bonds3

About 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine

6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine (PubChem CID 116798026) has the molecular formula C10H6BrFN4O3 and a molecular weight of 329.09 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
PubChem CID116798026
Molecular FormulaC10H6BrFN4O3
Molecular Weight329.09 g/mol
Exact Mass327.96
IUPAC Name6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H6BrFN4O3/c11-7-4-8(13)15-10(14-7)19-9-5(12)2-1-3-6(9)16(17)18/h1-4H,(H2,13,14,15)
InChIKeyGQLIMONTDGMFRF-UHFFFAOYSA-N
XLogP2.66
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
CID 116797883
2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546052
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 104831877
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
(1R)-1-[3-bromo-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831905
3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
CID 106531346
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine (CID 116798026) is 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine is Nc1cc(Br)nc(Oc2c(F)cccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is GQLIMONTDGMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN4O3/c11-7-4-8(13)15-10(14-7)19-9-5(12)2-1-3-6(9)16(17)18/h1-4H,(H2,13,14,15).
What are the key properties of 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine?
6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 329.09 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116798026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).