1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C13H14BrN3 — CID 114024192

IUPAC1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-5-11(12(9)14)13(15-2)10-6-16-8-17-7-10/h3-8,13,15H,1-2H3
InChIKeyZPRAGYQGHGLZNG-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 114024192) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID114024192
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-5-11(12(9)14)13(15-2)10-6-16-8-17-7-10/h3-8,13,15H,1-2H3
InChIKeyZPRAGYQGHGLZNG-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114023801
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 114024192) is 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is ZPRAGYQGHGLZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-4-3-5-11(12(9)14)13(15-2)10-6-16-8-17-7-10/h3-8,13,15H,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 114024192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).