2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine

C13H15BrN4O2 — CID 106997994

IUPAC2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1nc(Oc2cc(N(C)C)ccc2N)ncc1Br
InChIInChI=1S/C13H15BrN4O2/c1-18(2)8-4-5-10(15)11(6-8)20-13-16-7-9(14)12(17-13)19-3/h4-7H,15H2,1-3H3
InChIKeyFFJHKSCEUOMOLA-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.69
Rot. Bonds4

About 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine

2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 106997994) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID106997994
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1nc(Oc2cc(N(C)C)ccc2N)ncc1Br
InChIInChI=1S/C13H15BrN4O2/c1-18(2)8-4-5-10(15)11(6-8)20-13-16-7-9(14)12(17-13)19-3/h4-7H,15H2,1-3H3
InChIKeyFFJHKSCEUOMOLA-UHFFFAOYSA-N
XLogP2.69
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine (CID 106997994) is 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine is COc1nc(Oc2cc(N(C)C)ccc2N)ncc1Br.
What is the InChIKey of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is FFJHKSCEUOMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-18(2)8-4-5-10(15)11(6-8)20-13-16-7-9(14)12(17-13)19-3/h4-7H,15H2,1-3H3.
What are the key properties of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine?
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 339.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 106997994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).