1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

C14H15BrFN3 — CID 82802193

IUPAC1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ccc(F)c(Br)c2)nc1C
InChIInChI=1S/C14H15BrFN3/c1-8(17-3)11-7-18-14(19-9(11)2)10-4-5-13(16)12(15)6-10/h4-8,17H,1-3H3
InChIKeyQZMCGXULTRNSCP-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.63
Rot. Bonds3

About 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 82802193) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID82802193
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ccc(F)c(Br)c2)nc1C
InChIInChI=1S/C14H15BrFN3/c1-8(17-3)11-7-18-14(19-9(11)2)10-4-5-13(16)12(15)6-10/h4-8,17H,1-3H3
InChIKeyQZMCGXULTRNSCP-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-methyl-5-[1-(methylamino)ethyl]pyrimidin-2-yl]benzene-1,2-diol
CID 136889408
1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 62770310
(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
2-[2-(3-bromo-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 82789431
2-(3-bromo-4-fluorophenyl)-5-methylpyrimidine-4-carboxylic acid
CID 114245006
2-(3-bromo-4-fluorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 82801577
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 82802193) is 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2ccc(F)c(Br)c2)nc1C.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is QZMCGXULTRNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-8(17-3)11-7-18-14(19-9(11)2)10-4-5-13(16)12(15)6-10/h4-8,17H,1-3H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 82802193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).