5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine

C13H22BrN3O — CID 116776475

IUPAC5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C13H22BrN3O/c1-6-13(7-2,18-8-3)12-16-9(4)10(14)11(15-5)17-12/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyVGRAWTNGJJIVCL-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.64
Rot. Bonds6

About 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine

5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 116776475) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID116776475
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C13H22BrN3O/c1-6-13(7-2,18-8-3)12-16-9(4)10(14)11(15-5)17-12/h6-8H2,1-5H3,(H,15,16,17)
InChIKeyVGRAWTNGJJIVCL-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116776495
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 116775839
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
CID 116746099
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
CID 79196793
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine (CID 116776475) is 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine is CCOC(CC)(CC)c1nc(C)c(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is VGRAWTNGJJIVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-6-13(7-2,18-8-3)12-16-9(4)10(14)11(15-5)17-12/h6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 316.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).