5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine

C11H18BrN3O — CID 116729801

IUPAC5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1ncc(Br)c(NC)n1)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-16-9(7(2)3)11-14-6-8(12)10(13-4)15-11/h6-7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyWDRCXGFVVTXRAW-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine

5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (PubChem CID 116729801) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
PubChem CID116729801
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1ncc(Br)c(NC)n1)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-5-16-9(7(2)3)11-14-6-8(12)10(13-4)15-11/h6-7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeyWDRCXGFVVTXRAW-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116729831
2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116728964
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
CID 66302250
[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116730245
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
CID 116729783
5-bromo-2-(2-methoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116777031
3-[(1S)-1-ethoxy-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 177331407
[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730268
[2-(1-ethoxy-2-methylpropyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (CID 116729801) is 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine is CCOC(c1ncc(Br)c(NC)n1)C(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The InChIKey is WDRCXGFVVTXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-16-9(7(2)3)11-14-6-8(12)10(13-4)15-11/h6-7,9H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 3.01, 5 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-methylpropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).