4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine

C11H16IN3 — CID 66318164

IUPAC4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine
SMILESCC1CCN(c2ncncc2I)C(C)C1
InChIInChI=1S/C11H16IN3/c1-8-3-4-15(9(2)5-8)11-10(12)6-13-7-14-11/h6-9H,3-5H2,1-2H3
InChIKeyPGWCPMVYBRZPEF-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.71
Rot. Bonds1

About 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine

4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine (PubChem CID 66318164) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine
PubChem CID66318164
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine
SMILESCC1CCN(c2ncncc2I)C(C)C1
InChIInChI=1S/C11H16IN3/c1-8-3-4-15(9(2)5-8)11-10(12)6-13-7-14-11/h6-9H,3-5H2,1-2H3
InChIKeyPGWCPMVYBRZPEF-UHFFFAOYSA-N
XLogP2.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine (CID 66318164) is 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine is CC1CCN(c2ncncc2I)C(C)C1.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine?
The InChIKey is PGWCPMVYBRZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c1-8-3-4-15(9(2)5-8)11-10(12)6-13-7-14-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine?
4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine has a molecular weight of 317.17 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine is sourced from PubChem (CID 66318164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).