1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine

C16H20BrN3O — CID 104853290

IUPAC1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ncn1)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-4-18-15(12-5-11(2)6-13(17)7-12)8-14-9-16(21-3)20-10-19-14/h5-7,9-10,15,18H,4,8H2,1-3H3
InChIKeyYZNXWYHZAFQTTJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.45
Rot. Bonds6

About 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine

1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 104853290) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID104853290
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ncn1)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H20BrN3O/c1-4-18-15(12-5-11(2)6-13(17)7-12)8-14-9-16(21-3)20-10-19-14/h5-7,9-10,15,18H,4,8H2,1-3H3
InChIKeyYZNXWYHZAFQTTJ-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580
1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
CID 112754827
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842312
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
1-(2-bromo-3-methylphenyl)-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 107982928
1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
CID 104996502
1-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644
1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987248
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine (CID 104853290) is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine is CCNC(Cc1cc(OC)ncn1)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is YZNXWYHZAFQTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-18-15(12-5-11(2)6-13(17)7-12)8-14-9-16(21-3)20-10-19-14/h5-7,9-10,15,18H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine?
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 104853290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).