4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine

C13H14BrN3O2 — CID 104708791

IUPAC4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-16-13(15-2)17-12(8)19-11-5-4-9(18-3)6-10(11)14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyZKEWIZJWNXGOSK-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.39
Rot. Bonds4

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

4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 104708791) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID104708791
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-16-13(15-2)17-12(8)19-11-5-4-9(18-3)6-10(11)14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyZKEWIZJWNXGOSK-UHFFFAOYSA-N
XLogP3.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
4-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80864579
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
N,5-dimethyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388464
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 104708879

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine (CID 104708791) is 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(Oc2ccc(OC)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is ZKEWIZJWNXGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-7-16-13(15-2)17-12(8)19-11-5-4-9(18-3)6-10(11)14/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 324.18 g/mol, XLogP of 3.39, 4 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)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 104708791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).