1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

C14H25N3O — CID 116731317

IUPAC1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCCC(OCC)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-8-13(18-7-2)14-16-9-12(10(3)15-5)11(4)17-14/h9-10,13,15H,6-8H2,1-5H3
InChIKeyKZRLLYIJRYCJFF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116731317) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116731317
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCCC(OCC)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C14H25N3O/c1-6-8-13(18-7-2)14-16-9-12(10(3)15-5)11(4)17-14/h9-10,13,15H,6-8H2,1-5H3
InChIKeyKZRLLYIJRYCJFF-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]ethanone
CID 116731021
1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731319
2-(1-ethoxybutyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 116729852
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206481
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728320

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 116731317) is 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CCCC(OCC)c1ncc(C(C)NC)c(C)n1.
What is the InChIKey of 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is KZRLLYIJRYCJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-8-13(18-7-2)14-16-9-12(10(3)15-5)11(4)17-14/h9-10,13,15H,6-8H2,1-5H3.
What are the key properties of 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116731317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).