1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C14H16BrN3O2 — CID 103524439

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H16BrN3O2/c1-16-13(9-6-17-8-18-7-9)10-4-5-11(19-2)12(15)14(10)20-3/h4-8,13,16H,1-3H3
InChIKeyPGQKHMOYVPBKOF-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.57
Rot. Bonds5

About 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 103524439) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID103524439
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H16BrN3O2/c1-16-13(9-6-17-8-18-7-9)10-4-5-11(19-2)12(15)14(10)20-3/h4-8,13,16H,1-3H3
InChIKeyPGQKHMOYVPBKOF-UHFFFAOYSA-N
XLogP2.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 103523398
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
N-methyl-1-pyridin-3-yl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589047
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107961378
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973
N-[(3-bromo-2,4-dimethoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 103523310
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 103524439) is 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is PGQKHMOYVPBKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16-13(9-6-17-8-18-7-9)10-4-5-11(19-2)12(15)14(10)20-3/h4-8,13,16H,1-3H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 338.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 103524439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).