N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

C15H27N3O — CID 116731738

IUPACN-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OCC)C(C)C)nc1C
InChIInChI=1S/C15H27N3O/c1-7-16-9-13-11(5)17-15(18-12(13)6)14(10(3)4)19-8-2/h10,14,16H,7-9H2,1-6H3
InChIKeyOJXMWRCQSWLDJU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds7

About N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 116731738) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
PubChem CID116731738
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OCC)C(C)C)nc1C
InChIInChI=1S/C15H27N3O/c1-7-16-9-13-11(5)17-15(18-12(13)6)14(10(3)4)19-8-2/h10,14,16H,7-9H2,1-6H3
InChIKeyOJXMWRCQSWLDJU-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (CID 116731738) is N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(C(OCC)C(C)C)nc1C.
What is the InChIKey of N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is OJXMWRCQSWLDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-16-9-13-11(5)17-15(18-12(13)6)14(10(3)4)19-8-2/h10,14,16H,7-9H2,1-6H3.
What are the key properties of N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 265.40 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 N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116731738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).