3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one

C11H18IN3O3 — CID 115475830

IUPAC3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCOCCNCC(O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H18IN3O3/c1-8-14-6-10(12)11(17)15(8)7-9(16)5-13-3-4-18-2/h6,9,13,16H,3-5,7H2,1-2H3
InChIKeyVYDCGHBGDYNTDN-UHFFFAOYSA-N
MW367.19 g/mol
LogP-0.25
Rot. Bonds7

About 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one

3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one (PubChem CID 115475830) has the molecular formula C11H18IN3O3 and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
PubChem CID115475830
Molecular FormulaC11H18IN3O3
Molecular Weight367.19 g/mol
Exact Mass367.04
IUPAC Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
SMILESCOCCNCC(O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H18IN3O3/c1-8-14-6-10(12)11(17)15(8)7-9(16)5-13-3-4-18-2/h6,9,13,16H,3-5,7H2,1-2H3
InChIKeyVYDCGHBGDYNTDN-UHFFFAOYSA-N
XLogP-0.25
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromo-3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 113317725
3-[3-(ethylamino)-2-hydroxypropyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342931
3-(2-hydroxypropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66340054
5-iodo-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
CID 104648896
methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66342694
5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475877
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475514
5-iodo-2-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 66341162
5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 66340708
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
1-(2-hydroxyethylamino)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 146014908
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one (CID 115475830) is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one is COCCNCC(O)Cn1c(C)ncc(I)c1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is VYDCGHBGDYNTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O3/c1-8-14-6-10(12)11(17)15(8)7-9(16)5-13-3-4-18-2/h6,9,13,16H,3-5,7H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one?
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 367.19 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 115475830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).