6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine

C11H9BrN4O3 — CID 103013798

IUPAC6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H9BrN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(16(17)18)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyGVAQPKSLWDBSNE-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.83
Rot. Bonds3

About 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine

6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 103013798) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
PubChem CID103013798
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C11H9BrN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(16(17)18)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyGVAQPKSLWDBSNE-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-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103589669
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
6-(2-bromo-5-nitrophenoxy)-5-methoxy-N-methylpyrimidin-4-amine
CID 103013779
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
6-(2-bromo-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 103013790
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866
3-(2-bromo-5-nitrophenoxy)pyrazine-2-carbonitrile
CID 103010082
(1S)-1-[3-bromo-4-(2-bromo-5-nitrophenoxy)phenyl]ethanamine
CID 103010564

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine (CID 103013798) is 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is GVAQPKSLWDBSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(16(17)18)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
6-(2-bromo-5-nitrophenoxy)-5-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-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103013798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).