[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine

C12H11Br2N3O2 — CID 106999555

IUPAC[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1nc(Oc2ccc(Br)cc2CN)ncc1Br
InChIInChI=1S/C12H11Br2N3O2/c1-18-11-9(14)6-16-12(17-11)19-10-3-2-8(13)4-7(10)5-15/h2-4,6H,5,15H2,1H3
InChIKeyMDHIEISLKWGYKX-UHFFFAOYSA-N
MW389.05 g/mol
LogP3.26
Rot. Bonds4

About [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine

[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine (PubChem CID 106999555) has the molecular formula C12H11Br2N3O2 and a molecular weight of 389.05 g/mol. Its IUPAC name is [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
PubChem CID106999555
Molecular FormulaC12H11Br2N3O2
Molecular Weight389.05 g/mol
Exact Mass386.92
IUPAC Name[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCOc1nc(Oc2ccc(Br)cc2CN)ncc1Br
InChIInChI=1S/C12H11Br2N3O2/c1-18-11-9(14)6-16-12(17-11)19-10-3-2-8(13)4-7(10)5-15/h2-4,6H,5,15H2,1H3
InChIKeyMDHIEISLKWGYKX-UHFFFAOYSA-N
XLogP3.26
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 106999557
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The IUPAC name of [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine (CID 106999555) is [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine is COc1nc(Oc2ccc(Br)cc2CN)ncc1Br.
What is the InChIKey of [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
The InChIKey is MDHIEISLKWGYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2/c1-18-11-9(14)6-16-12(17-11)19-10-3-2-8(13)4-7(10)5-15/h2-4,6H,5,15H2,1H3.
What are the key properties of [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine?
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine has a molecular weight of 389.05 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106999555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).