N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine

C11H15N5O2 — CID 71980282

IUPACN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOC(C)c1noc(CN(C)c2ncccn2)n1
InChIInChI=1S/C11H15N5O2/c1-8(17-3)10-14-9(18-15-10)7-16(2)11-12-5-4-6-13-11/h4-6,8H,7H2,1-3H3
InChIKeyAAWZNLJGAKIEIQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.20
Rot. Bonds5

About N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine

N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine (PubChem CID 71980282) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine
PubChem CID71980282
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOC(C)c1noc(CN(C)c2ncccn2)n1
InChIInChI=1S/C11H15N5O2/c1-8(17-3)10-14-9(18-15-10)7-16(2)11-12-5-4-6-13-11/h4-6,8H,7H2,1-3H3
InChIKeyAAWZNLJGAKIEIQ-UHFFFAOYSA-N
XLogP1.20
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine 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-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine (CID 71980282) is N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine is COC(C)c1noc(CN(C)c2ncccn2)n1.
What is the InChIKey of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is AAWZNLJGAKIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8(17-3)10-14-9(18-15-10)7-16(2)11-12-5-4-6-13-11/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine?
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 71980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).