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

C11H19N3O — CID 116728964

IUPAC2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1nccc(NC)n1)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-15-10(8(2)3)11-13-7-6-9(12-4)14-11/h6-8,10H,5H2,1-4H3,(H,12,13,14)
InChIKeyJNAIBSJHWWAMCG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.25
Rot. Bonds5

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

2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (PubChem CID 116728964) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
PubChem CID116728964
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
SMILESCCOC(c1nccc(NC)n1)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-15-10(8(2)3)11-13-7-6-9(12-4)14-11/h6-8,10H,5H2,1-4H3,(H,12,13,14)
InChIKeyJNAIBSJHWWAMCG-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729801
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
[2-(1-ethoxy-2-methylpropyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730346
2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116729831
3-[(1S)-1-ethoxy-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 177331407
N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731738
N-methyl-2-propylpyrimidin-4-amine
CID 62192009
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
(2-butan-2-ylpyrimidin-4-yl)hydrazine
CID 62314527
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116776051
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116703136

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine (CID 116728964) is 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine is CCOC(c1nccc(NC)n1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
The InChIKey is JNAIBSJHWWAMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-15-10(8(2)3)11-13-7-6-9(12-4)14-11/h6-8,10H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine?
2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116728964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).