5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136749177

IUPAC5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2I)CCC1C
InChIInChI=1S/C11H16IN3O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyVGTAVRDMZVOARN-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.24
Rot. Bonds2

About 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136749177) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136749177
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2nc[nH]c(=O)c2I)CCC1C
InChIInChI=1S/C11H16IN3O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyVGTAVRDMZVOARN-UHFFFAOYSA-N
XLogP1.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
4-(3-hydroxy-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749167
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821995
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136825657

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136749177) is 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2nc[nH]c(=O)c2I)CCC1C.
What is the InChIKey of 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VGTAVRDMZVOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-7-3-4-15(5-8(7)17-2)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136749177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).