5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine

C11H18BrN3O — CID 116729783

IUPAC5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCCOC(c1ncc(Br)c(N)n1)C(C)(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-16-8(11(2,3)4)10-14-6-7(12)9(13)15-10/h6,8H,5H2,1-4H3,(H2,13,14,15)
InChIKeyBSIVPCFDNYUPTO-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine

5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine (PubChem CID 116729783) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
PubChem CID116729783
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
SMILESCCOC(c1ncc(Br)c(N)n1)C(C)(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-16-8(11(2,3)4)10-14-6-7(12)9(13)15-10/h6,8H,5H2,1-4H3,(H2,13,14,15)
InChIKeyBSIVPCFDNYUPTO-UHFFFAOYSA-N
XLogP2.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116704204
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116729831
4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine
CID 116734103
5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729801
2-amino-4-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872361
1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 116704210
6-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116704372
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728558
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
CID 116701232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine (CID 116729783) is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine is CCOC(c1ncc(Br)c(N)n1)C(C)(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine?
The InChIKey is BSIVPCFDNYUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-16-8(11(2,3)4)10-14-6-7(12)9(13)15-10/h6,8H,5H2,1-4H3,(H2,13,14,15).
What are the key properties of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine?
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 116729783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).