N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine

C10H17N3O2 — CID 62784368

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
SMILESCOCCOCCNc1ccnc(C)n1
InChIInChI=1S/C10H17N3O2/c1-9-11-4-3-10(13-9)12-5-6-15-8-7-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13)
InChIKeyQWEBUOWWDWPUJU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine

N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 62784368) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
PubChem CID62784368
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
SMILESCOCCOCCNc1ccnc(C)n1
InChIInChI=1S/C10H17N3O2/c1-9-11-4-3-10(13-9)12-5-6-15-8-7-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13)
InChIKeyQWEBUOWWDWPUJU-UHFFFAOYSA-N
XLogP0.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-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-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine (CID 62784368) is N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine is COCCOCCNc1ccnc(C)n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is QWEBUOWWDWPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9-11-4-3-10(13-9)12-5-6-15-8-7-14-2/h3-4H,5-8H2,1-2H3,(H,11,12,13).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 211.26 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62784368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).