2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

C13H15BrN4 — CID 113398737

IUPAC2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ncccc2Br)nc(C)c1CCN
InChIInChI=1S/C13H15BrN4/c1-8-10(5-6-15)9(2)18-13(17-8)12-11(14)4-3-7-16-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyPPUHFIQAAVGTLG-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.42
Rot. Bonds3

About 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (PubChem CID 113398737) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
PubChem CID113398737
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ncccc2Br)nc(C)c1CCN
InChIInChI=1S/C13H15BrN4/c1-8-10(5-6-15)9(2)18-13(17-8)12-11(14)4-3-7-16-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyPPUHFIQAAVGTLG-UHFFFAOYSA-N
XLogP2.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
CID 63950493
2-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)ethanamine
CID 62746300
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
2-[5-(2-aminoethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013043
N-[2-[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]ethyl]propan-2-amine
CID 62744066
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
CID 28916529
[5-ethyl-2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]hydrazine
CID 82741028
3-(3-bromo-2-pyridinyl)-5-(2-methoxyethyl)-1,2,4-oxadiazole
CID 167877135
2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
CID 113398187
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 82740850
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (CID 113398737) is 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is Cc1nc(-c2ncccc2Br)nc(C)c1CCN.
What is the InChIKey of 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The InChIKey is PPUHFIQAAVGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-8-10(5-6-15)9(2)18-13(17-8)12-11(14)4-3-7-16-12/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine has a molecular weight of 307.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 113398737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).