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

C11H18BrN3O — CID 116729311

IUPAC5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(C)(C)c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C11H18BrN3O/c1-6-16-11(3,4)10-14-7(2)8(12)9(13-5)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyRDYMXUSOIQGBJZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.86
Rot. Bonds4

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

5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 116729311) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID116729311
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(C)(C)c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C11H18BrN3O/c1-6-16-11(3,4)10-14-7(2)8(12)9(13-5)15-10/h6H2,1-5H3,(H,13,14,15)
InChIKeyRDYMXUSOIQGBJZ-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
5-bromo-2-(2-ethoxypropan-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729389
5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116776495
5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
CID 79196793
2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
2-(2-ethoxypropan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 116728793
2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728926
3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 116727369
2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764
2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 116775839
5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
CID 155756934

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine (CID 116729311) is 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine is CCOC(C)(C)c1nc(C)c(Br)c(NC)n1.
What is the InChIKey of 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RDYMXUSOIQGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-6-16-11(3,4)10-14-7(2)8(12)9(13-5)15-10/h6H2,1-5H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116729311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).