1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H11BrFN3 — CID 66425432

IUPAC1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H11BrFN3/c1-15-12(9-5-16-7-17-6-9)8-2-10(13)4-11(14)3-8/h2-7,12,15H,1H3
InChIKeyKRKJQHCOFDSGFJ-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 66425432) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID66425432
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H11BrFN3/c1-15-12(9-5-16-7-17-6-9)8-2-10(13)4-11(14)3-8/h2-7,12,15H,1H3
InChIKeyKRKJQHCOFDSGFJ-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 107945193
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83045108
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 66425432) is 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is KRKJQHCOFDSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-15-12(9-5-16-7-17-6-9)8-2-10(13)4-11(14)3-8/h2-7,12,15H,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 296.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 66425432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).