4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C11H16IN3O — CID 136957692

IUPAC4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQIJYVXVTFJRFEJ-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.00
Rot. Bonds2

About 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957692) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957692
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQIJYVXVTFJRFEJ-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.00
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-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
5-Iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 166058821
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
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-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308649
5-Iodo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309296
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-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061180

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136957692) is 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CCC1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QIJYVXVTFJRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).