5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136821995

IUPAC5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyWTPIPHMOCWXHHP-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.24
Rot. Bonds3

About 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821995) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821995
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyWTPIPHMOCWXHHP-UHFFFAOYSA-N
XLogP1.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586415
5-iodo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749177
5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786672
5-bromo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821994
5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821996
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821997
4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821999
4-(4-ethoxypiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954311
5-iodo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956244
5-iodo-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957474
4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957692
5-iodo-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957736

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821995) is 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WTPIPHMOCWXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).