4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine

C13H14BrN3O2 — CID 104707588

IUPAC4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Oc2ccnc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-17(2)13-15-7-6-12(16-13)19-11-5-4-9(18-3)8-10(11)14/h4-8H,1-3H3
InChIKeyYBLZEELFNNXKBF-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.11
Rot. Bonds4

About 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine

4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine (PubChem CID 104707588) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
PubChem CID104707588
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Oc2ccnc(N(C)C)n2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-17(2)13-15-7-6-12(16-13)19-11-5-4-9(18-3)8-10(11)14/h4-8H,1-3H3
InChIKeyYBLZEELFNNXKBF-UHFFFAOYSA-N
XLogP3.11
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
4-(5-amino-2-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830678
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
4-(4-iodophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64829666
4-(2-amino-4-fluorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64831267
4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830084
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine (CID 104707588) is 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine is COc1ccc(Oc2ccnc(N(C)C)n2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is YBLZEELFNNXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-17(2)13-15-7-6-12(16-13)19-11-5-4-9(18-3)8-10(11)14/h4-8H,1-3H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine?
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 324.18 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 104707588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).