5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine

C8H12IN3O — CID 104840254

IUPAC5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine
SMILESCOCCN(C)c1ncc(I)cn1
InChIInChI=1S/C8H12IN3O/c1-12(3-4-13-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyPGDWZUVNZXPXOU-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.16
Rot. Bonds4

About 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine

5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine (PubChem CID 104840254) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine
PubChem CID104840254
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine
SMILESCOCCN(C)c1ncc(I)cn1
InChIInChI=1S/C8H12IN3O/c1-12(3-4-13-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyPGDWZUVNZXPXOU-UHFFFAOYSA-N
XLogP1.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine (CID 104840254) is 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine is COCCN(C)c1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine?
The InChIKey is PGDWZUVNZXPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-12(3-4-13-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine?
5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine has a molecular weight of 293.11 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 104840254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).