3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one

C10H15IN2O2 — CID 66342660

IUPAC3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCCOCCCn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-3-15-6-4-5-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3
InChIKeyZUBXIPSCYDDUFD-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.58
Rot. Bonds5

About 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one

3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one (PubChem CID 66342660) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one
PubChem CID66342660
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one
SMILESCCOCCCn1cnc(C)c(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-3-15-6-4-5-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3
InChIKeyZUBXIPSCYDDUFD-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one (CID 66342660) is 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one is CCOCCCn1cnc(C)c(I)c1=O.
What is the InChIKey of 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is ZUBXIPSCYDDUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-3-15-6-4-5-13-7-12-8(2)9(11)10(13)14/h7H,3-6H2,1-2H3.
What are the key properties of 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one?
3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 322.15 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 66342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).