5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one

C10H15IN2O2 — CID 104648896

IUPAC5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
SMILESCOCCCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-8-12-7-9(11)10(14)13(8)5-3-4-6-15-2/h7H,3-6H2,1-2H3
InChIKeyGJPGHKOWLHEFRR-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.58
Rot. Bonds5

About 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one

5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one (PubChem CID 104648896) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
PubChem CID104648896
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
SMILESCOCCCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-8-12-7-9(11)10(14)13(8)5-3-4-6-15-2/h7H,3-6H2,1-2H3
InChIKeyGJPGHKOWLHEFRR-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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Related Compounds

5-Iodo-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 66343156
3-(3-Fluoropropyl)-5-iodo-2-methylpyrimidin-4-one
CID 81113788
5-Iodo-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705707
5-Iodo-3-(3-methoxypropyl)pyrimidin-4-one
CID 66308840
3-(3-Ethoxypropyl)-5-iodopyrimidin-4-one
CID 66309283
5-iodo-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66315547
5-Iodo-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66340470
3-Ethyl-5-iodo-2-methylpyrimidin-4-one
CID 66340476
3-(3-Hydroxypropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340481
3-[2-(4-Ethoxybutylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340506
3-(2-Butoxyethyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340698
5-Iodo-2-methyl-3-(2-methylpropyl)pyrimidin-4-one
CID 66340913

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one?
The IUPAC name of 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one (CID 104648896) is 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one is COCCCCn1c(C)ncc(I)c1=O.
What is the InChIKey of 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one?
The InChIKey is GJPGHKOWLHEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-8-12-7-9(11)10(14)13(8)5-3-4-6-15-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one?
5-iodo-3-(4-methoxybutyl)-2-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 5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 104648896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).