5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

C11H16IN3O — CID 166058821

IUPAC5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCC1CCN(c2ncc(I)c(=O)n2C)CC1
InChIInChI=1S/C11H16IN3O/c1-8-3-5-15(6-4-8)11-13-7-9(12)10(16)14(11)2/h7-8H,3-6H2,1-2H3
InChIKeyTXGWOHSZIXFZFA-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.62
Rot. Bonds1

About 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (PubChem CID 166058821) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
PubChem CID166058821
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCC1CCN(c2ncc(I)c(=O)n2C)CC1
InChIInChI=1S/C11H16IN3O/c1-8-3-5-15(6-4-8)11-13-7-9(12)10(16)14(11)2/h7-8H,3-6H2,1-2H3
InChIKeyTXGWOHSZIXFZFA-UHFFFAOYSA-N
XLogP1.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.62
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

2-[4-(Aminomethyl)-4-methylpiperidin-1-yl]-5-iodo-3-methylpyrimidin-4-one
CID 141509075
3,5-Dimethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 155002572
3-Methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-one
CID 166901177
6-Amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
CID 175053872
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66314512
4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957692

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (CID 166058821) is 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is CC1CCN(c2ncc(I)c(=O)n2C)CC1.
What is the InChIKey of 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The InChIKey is TXGWOHSZIXFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-8-3-5-15(6-4-8)11-13-7-9(12)10(16)14(11)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one has a molecular weight of 333.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 166058821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).