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

C9H13IN2O3 — CID 103489529

IUPAC4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyYXIVXVFPRYAAEF-UHFFFAOYSA-N
MW324.12 g/mol
LogP1.18
Rot. Bonds5

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

4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 103489529) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID103489529
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyYXIVXVFPRYAAEF-UHFFFAOYSA-N
XLogP1.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 51.18
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

5-iodo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrimidin-6-one
CID 114676491
5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 102607197
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699
4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240710
5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241634
4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241643
4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241664
5-iodo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404135
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one (CID 103489529) is 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one is CCOCC(C)Oc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YXIVXVFPRYAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-3-14-4-6(2)15-9-7(10)8(13)11-5-12-9/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one?
4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 324.12 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 103489529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).