4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one

C6H8IN3O2 — CID 114586362

IUPAC4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H8IN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyCFQJWUOJJCMLSE-UHFFFAOYSA-N
MW281.05 g/mol
LogP-0.29
Rot. Bonds3

About 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one

4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586362) has the molecular formula C6H8IN3O2 and a molecular weight of 281.05 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114586362
Molecular FormulaC6H8IN3O2
Molecular Weight281.05 g/mol
Exact Mass280.97
IUPAC Name4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C6H8IN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyCFQJWUOJJCMLSE-UHFFFAOYSA-N
XLogP-0.29
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675907
4-(2,2-difluoroethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676545
5-iodo-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676563
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-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586353
4-(2-aminoethoxy)-1H-pyrimidin-6-one
CID 114586354
4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586358

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one (CID 114586362) is 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one is NCCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CFQJWUOJJCMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 281.05 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).