6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine

C11H9BrN4O3 — CID 103589669

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

About 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine

6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 103589669) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
PubChem CID103589669
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H9BrN4O3/c1-6-10(13)14-5-15-11(6)19-9-3-7(12)2-8(4-9)16(17)18/h2-5H,1H3,(H2,13,14,15)
InChIKeyMBFSQAYPXQLRLZ-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-propan-2-ylpyrimidin-4-amine
CID 103589699
6-(3-bromo-5-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 103589656
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine (CID 103589669) is 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Oc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is MBFSQAYPXQLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-6-10(13)14-5-15-11(6)19-9-3-7(12)2-8(4-9)16(17)18/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine?
6-(3-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-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103589669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).