1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine

C13H14BrN3O2 — CID 106998413

IUPAC1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncc(Br)c(OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-15-7-9-5-3-4-6-11(9)19-13-16-8-10(14)12(17-13)18-2/h3-6,8,15H,7H2,1-2H3
InChIKeyXBUYWWYSXAZESP-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine

1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 106998413) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
PubChem CID106998413
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncc(Br)c(OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-15-7-9-5-3-4-6-11(9)19-13-16-8-10(14)12(17-13)18-2/h3-6,8,15H,7H2,1-2H3
InChIKeyXBUYWWYSXAZESP-UHFFFAOYSA-N
XLogP2.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485504
N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
CID 106485491
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine
CID 106485346
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine (CID 106998413) is 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ncc(Br)c(OC)n1.
What is the InChIKey of 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is XBUYWWYSXAZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15-7-9-5-3-4-6-11(9)19-13-16-8-10(14)12(17-13)18-2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine?
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 324.18 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106998413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).