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

C11H16IN3O2 — CID 136716210

IUPAC5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMTQMDVZOLOVKKY-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.38
Rot. Bonds2

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

5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716210) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716210
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMTQMDVZOLOVKKY-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716209
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749177
5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136958107
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979860
4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136993912
4-(2,2-dimethylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136993987

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716210) is 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MTQMDVZOLOVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.38, 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-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).