2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine

C8H12IN3O — CID 66303519

IUPAC2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOCc1ncc(I)c(NC)n1
InChIInChI=1S/C8H12IN3O/c1-3-13-5-7-11-4-6(9)8(10-2)12-7/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyYDSCOUQEPXCERB-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.66
Rot. Bonds4

About 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine

2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66303519) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66303519
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOCc1ncc(I)c(NC)n1
InChIInChI=1S/C8H12IN3O/c1-3-13-5-7-11-4-6(9)8(10-2)12-7/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyYDSCOUQEPXCERB-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethyl)-5-iodo-N-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 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66303519) is 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine is CCOCc1ncc(I)c(NC)n1.
What is the InChIKey of 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is YDSCOUQEPXCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-3-13-5-7-11-4-6(9)8(10-2)12-7/h4H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine?
2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 293.11 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66303519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).