5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C13H20IN3O — CID 107913281

IUPAC5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCC2CCCCN2C)c(=O)c1I
InChIInChI=1S/C13H20IN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyDFACFKMHNNXNRF-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.03
Rot. Bonds3

About 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913281) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913281
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCC2CCCCN2C)c(=O)c1I
InChIInChI=1S/C13H20IN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyDFACFKMHNNXNRF-UHFFFAOYSA-N
XLogP2.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.03
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

3-Hexyl-5-iodo-6-methylpyrimidin-4-one
CID 66339766
3-Heptyl-5-iodo-6-methylpyrimidin-4-one
CID 66340206
5-Iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66340435
5-Iodo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66340659
5-Iodo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340660
3-Decyl-5-iodo-6-methylpyrimidin-4-one
CID 66340880
3-(2-Ethylhexyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340881
5-Iodo-6-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66341099
5-Iodo-6-methyl-3-octylpyrimidin-4-one
CID 66341317
5-Iodo-6-methyl-3-pentylpyrimidin-4-one
CID 66342001
3-[3-(Cyclohexylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342456
5-Iodo-6-methyl-3-nonylpyrimidin-4-one
CID 66342654

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913281) is 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is Cc1ncn(CCC2CCCCN2C)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is DFACFKMHNNXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 361.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).