5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

C11H16IN3O2 — CID 114586440

IUPAC5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyBRBNSAPOCFFBGC-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.14
Rot. Bonds4

About 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586440) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586440
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyBRBNSAPOCFFBGC-UHFFFAOYSA-N
XLogP1.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
4-[2-(aminomethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
CID 113604889
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113604892
4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586345
5-iodo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586352
5-iodo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586379
5-iodo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586415
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586435
5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586438
5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586439

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114586440) is 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CCCNC2)c1I.
What is the InChIKey of 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is BRBNSAPOCFFBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).