5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine

C13H12Br3N3O2 — CID 80881149

IUPAC5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H12Br3N3O2/c1-3-17-13-18-6-9(16)12(19-13)21-11-5-7(14)10(20-2)4-8(11)15/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyHOKDCUKUSXADAL-UHFFFAOYSA-N
MW481.97 g/mol
LogP5.00
Rot. Bonds5

About 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine

5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine (PubChem CID 80881149) has the molecular formula C13H12Br3N3O2 and a molecular weight of 481.97 g/mol. Its IUPAC name is 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
PubChem CID80881149
Molecular FormulaC13H12Br3N3O2
Molecular Weight481.97 g/mol
Exact Mass478.85
IUPAC Name5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H12Br3N3O2/c1-3-17-13-18-6-9(16)12(19-13)21-11-5-7(14)10(20-2)4-8(11)15/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyHOKDCUKUSXADAL-UHFFFAOYSA-N
XLogP5.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
5-bromo-N-ethyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80864968
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
4-N-(4-bromo-3-methoxyphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 82862437
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine (CID 80881149) is 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine is CCNc1ncc(Br)c(Oc2cc(Br)c(OC)cc2Br)n1.
What is the InChIKey of 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is HOKDCUKUSXADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br3N3O2/c1-3-17-13-18-6-9(16)12(19-13)21-11-5-7(14)10(20-2)4-8(11)15/h4-6H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine?
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 481.97 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).