5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C12H18IN3O — CID 107913280

IUPAC5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cncc(I)c1=O
InChIInChI=1S/C12H18IN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3
InChIKeyWTPYLFQIBCCTRX-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.72
Rot. Bonds3

About 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913280) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913280
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cncc(I)c1=O
InChIInChI=1S/C12H18IN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3
InChIKeyWTPYLFQIBCCTRX-UHFFFAOYSA-N
XLogP1.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-3-pentylpyrimidin-4-one
CID 66307820
3-Hexyl-5-iodopyrimidin-4-one
CID 66308007
3-Heptyl-5-iodopyrimidin-4-one
CID 66308213
5-Iodo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308863
5-Iodo-3-octylpyrimidin-4-one
CID 66309273
3-Dodecyl-5-iodopyrimidin-4-one
CID 66309287
3-Decyl-5-iodopyrimidin-4-one
CID 66309926
5-Iodo-3-nonylpyrimidin-4-one
CID 66310552
3-[3-(Cyclohexylamino)propyl]-5-iodopyrimidin-4-one
CID 66310578
5-Iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66310985
5-Iodo-2-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340494
5-Bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913277

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913280) is 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is WTPYLFQIBCCTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3.
What are the key properties of 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 347.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).