3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one

C8H11IN2O2 — CID 66343121

IUPAC3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CC(C)O)c(=O)c1I
InChIInChI=1S/C8H11IN2O2/c1-5(12)3-11-4-10-6(2)7(9)8(11)13/h4-5,12H,3H2,1-2H3
InChIKeyFNTJSLZDJLYCIG-UHFFFAOYSA-N
MW294.09 g/mol
LogP0.54
Rot. Bonds2

About 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one

3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one (PubChem CID 66343121) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
PubChem CID66343121
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CC(C)O)c(=O)c1I
InChIInChI=1S/C8H11IN2O2/c1-5(12)3-11-4-10-6(2)7(9)8(11)13/h4-5,12H,3H2,1-2H3
InChIKeyFNTJSLZDJLYCIG-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 50.54
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-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one (CID 66343121) is 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(CC(C)O)c(=O)c1I.
What is the InChIKey of 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is FNTJSLZDJLYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c1-5(12)3-11-4-10-6(2)7(9)8(11)13/h4-5,12H,3H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one?
3-(2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 294.09 g/mol, XLogP of 0.54, 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-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66343121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).