5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C11H16IN3O — CID 66310985

IUPAC5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCN1CCCCC1
InChIInChI=1S/C11H16IN3O/c12-10-8-13-9-15(11(10)16)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2
InChIKeyHIZWSVJDMMQBSA-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.33
Rot. Bonds3

About 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66310985) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID66310985
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCN1CCCCC1
InChIInChI=1S/C11H16IN3O/c12-10-8-13-9-15(11(10)16)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2
InChIKeyHIZWSVJDMMQBSA-UHFFFAOYSA-N
XLogP1.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 66310985) is 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is O=c1c(I)cncn1CCN1CCCCC1.
What is the InChIKey of 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is HIZWSVJDMMQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c12-10-8-13-9-15(11(10)16)7-6-14-4-2-1-3-5-14/h8-9H,1-7H2.
What are the key properties of 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 333.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66310985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).