4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine

C14H16BrN3O — CID 80879089

IUPAC4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3O/c1-4-16-14-17-10(3)8-13(18-14)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyJUWLSIQIEHWFOX-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.08
Rot. Bonds4

About 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine

4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 80879089) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID80879089
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Oc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H16BrN3O/c1-4-16-14-17-10(3)8-13(18-14)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyJUWLSIQIEHWFOX-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881926
6-(4-bromo-2-methylphenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880161
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
CID 82826004
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80910120
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine (CID 80879089) is 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Oc2ccc(Br)cc2C)n1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is JUWLSIQIEHWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-16-14-17-10(3)8-13(18-14)19-12-6-5-11(15)7-9(12)2/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine?
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80879089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).