3-(2-hydroxypropyl)-5-iodopyrimidin-4-one

C7H9IN2O2 — CID 66308856

IUPAC3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
SMILESCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-5(11)3-10-4-9-2-6(8)7(10)12/h2,4-5,11H,3H2,1H3
InChIKeyCNBMHFFJYTWOHZ-UHFFFAOYSA-N
MW280.06 g/mol
LogP0.23
Rot. Bonds2

About 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one

3-(2-hydroxypropyl)-5-iodopyrimidin-4-one (PubChem CID 66308856) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
PubChem CID66308856
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
SMILESCC(O)Cn1cncc(I)c1=O
InChIInChI=1S/C7H9IN2O2/c1-5(11)3-10-4-9-2-6(8)7(10)12/h2,4-5,11H,3H2,1H3
InChIKeyCNBMHFFJYTWOHZ-UHFFFAOYSA-N
XLogP0.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 50.23
H-Bond Donors ≤ 51
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 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one (CID 66308856) is 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one is CC(O)Cn1cncc(I)c1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The InChIKey is CNBMHFFJYTWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-5(11)3-10-4-9-2-6(8)7(10)12/h2,4-5,11H,3H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
3-(2-hydroxypropyl)-5-iodopyrimidin-4-one has a molecular weight of 280.06 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).