6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine

C11H9BrN4O3 — CID 80876831

IUPAC6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H9BrN4O3/c1-6-14-10(13)5-11(15-6)19-9-3-2-7(12)4-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15)
InChIKeyAMMCDNKEOFBFMZ-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.83
Rot. Bonds3

About 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine

6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine (PubChem CID 80876831) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
PubChem CID80876831
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2ccc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H9BrN4O3/c1-6-14-10(13)5-11(15-6)19-9-3-2-7(12)4-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15)
InChIKeyAMMCDNKEOFBFMZ-UHFFFAOYSA-N
XLogP2.83
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.83
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-(4-bromo-2-nitrophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80877132
6-(4-bromo-2-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80876605
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 102703887
[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80922024
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
2-bromo-5-(4-bromo-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724090
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine (CID 80876831) is 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(Oc2ccc(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The InChIKey is AMMCDNKEOFBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-6-14-10(13)5-11(15-6)19-9-3-2-7(12)4-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine has a molecular weight of 325.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80876831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).