4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine

C11H10BrN3O2 — CID 104706575

IUPAC4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncncc2N)c(Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-10(8(12)4-7)17-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyJCFUDCUWUZWZEY-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine

4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 104706575) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
PubChem CID104706575
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncncc2N)c(Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-10(8(12)4-7)17-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyJCFUDCUWUZWZEY-UHFFFAOYSA-N
XLogP2.62
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine (CID 104706575) is 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine is COc1ccc(Oc2ncncc2N)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is JCFUDCUWUZWZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-16-7-2-3-10(8(12)4-7)17-11-9(13)5-14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine?
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 296.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 104706575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).