4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C11H16IN3O — CID 136993912

IUPAC4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(C)CN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O/c1-7-3-8(2)5-15(4-7)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyATFICAUOZASNAW-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.86
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136993912) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136993912
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(C)CN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H16IN3O/c1-7-3-8(2)5-15(4-7)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyATFICAUOZASNAW-UHFFFAOYSA-N
XLogP1.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
5-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309296
5-Iodo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309508
5-Iodo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340229
5-Iodo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66341340
5-Iodo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66341341
5-Iodo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061180

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136993912) is 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC1CC(C)CN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ATFICAUOZASNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-7-3-8(2)5-15(4-7)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136993912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).