4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O3 — CID 136958054

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(OCCO)CC2)c1I
InChIInChI=1S/C11H16IN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyGJXDGKREJHJQRF-UHFFFAOYSA-N
MW365.17 g/mol
LogP0.35
Rot. Bonds4

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136958054) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136958054
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(OCCO)CC2)c1I
InChIInChI=1S/C11H16IN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17)
InChIKeyGJXDGKREJHJQRF-UHFFFAOYSA-N
XLogP0.35
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
4-(4-ethoxypiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954311
5-iodo-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957474
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958037
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958056
5-iodo-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978196
4-[4-(3-aminopropoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136978747
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979792
5-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979799
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979802
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136989147
5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989614

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136958054) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(OCCO)CC2)c1I.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GJXDGKREJHJQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c12-9-10(13-7-14-11(9)17)15-3-1-8(2-4-15)18-6-5-16/h7-8,16H,1-6H2,(H,13,14,17).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 365.17 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136958054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).