5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one

C9H13IN2O2 — CID 116705923

IUPAC5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O2/c1-3-4-7(14-2)8-11-5-6(10)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyAZPTZCRHJFARCV-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.86
Rot. Bonds4

About 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one

5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116705923) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one
PubChem CID116705923
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O2/c1-3-4-7(14-2)8-11-5-6(10)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyAZPTZCRHJFARCV-UHFFFAOYSA-N
XLogP1.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dioxan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 66314501
5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314920
5-iodo-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66314923
5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 66315138
5-iodo-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66315547
2-(1-ethoxyethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316168
2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316585
5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79078075
5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202819
5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616630
2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 79666829
5-iodo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837975

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one (CID 116705923) is 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one is CCCC(OC)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is AZPTZCRHJFARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c1-3-4-7(14-2)8-11-5-6(10)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 308.12 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).