4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

C8H12IN3O2 — CID 114676262

IUPAC4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyWKORJTVOYQNFNL-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.31
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (PubChem CID 114676262) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
PubChem CID114676262
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyWKORJTVOYQNFNL-UHFFFAOYSA-N
XLogP0.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 102740477
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-methoxy-4-propoxy-1H-pyrimidin-6-one
CID 103240822
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241376
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586297
5-methoxy-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586301
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (CID 114676262) is 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is CN(C)CCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WKORJTVOYQNFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114676262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).