2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine

C14H16BrN3O — CID 63987280

IUPAC2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccncn1
InChIInChI=1S/C14H16BrN3O/c1-16-13(12-5-6-17-9-18-12)8-10-7-11(15)3-4-14(10)19-2/h3-7,9,13,16H,8H2,1-2H3
InChIKeyIXPRPTMNLXPDFI-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.75
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine

2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 63987280) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID63987280
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)c1ccncn1
InChIInChI=1S/C14H16BrN3O/c1-16-13(12-5-6-17-9-18-12)8-10-7-11(15)3-4-14(10)19-2/h3-7,9,13,16H,8H2,1-2H3
InChIKeyIXPRPTMNLXPDFI-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989184
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115817291
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 66426032
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
CID 65092395
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine (CID 63987280) is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine is CNC(Cc1cc(Br)ccc1OC)c1ccncn1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is IXPRPTMNLXPDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-16-13(12-5-6-17-9-18-12)8-10-7-11(15)3-4-14(10)19-2/h3-7,9,13,16H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine?
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63987280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).