2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine

C8H12BrN3 — CID 105487467

IUPAC2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-12(2)4-3-8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyRUYOJYDOFXDCPI-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine

2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine (PubChem CID 105487467) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
PubChem CID105487467
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-12(2)4-3-8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyRUYOJYDOFXDCPI-UHFFFAOYSA-N
XLogP1.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(chloromethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115347152
2-[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]ethanamine
CID 115347160
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
5-bromo-2-hexylpyrimidine
CID 122446219
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
2-[4-(dimethylamino)butyl]pyrimidine-5-carbaldehyde
CID 96616634
1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
CID 66764585
N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 146139510
1-(5-bromopyrimidin-2-yl)-1-methylhydrazine
CID 169495089
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine (CID 105487467) is 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine is CN(C)CCc1ncc(Br)cn1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is RUYOJYDOFXDCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-12(2)4-3-8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine?
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 230.11 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 105487467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).