5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one

C11H16IN3O2 — CID 114676279

IUPAC5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCN1CCCC1CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-15-5-2-3-8(15)4-6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyZCCRKZOMJHCBKU-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.24
Rot. Bonds4

About 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one

5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676279) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
PubChem CID114676279
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
SMILESCN1CCCC1CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-15-5-2-3-8(15)4-6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyZCCRKZOMJHCBKU-UHFFFAOYSA-N
XLogP1.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241406
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241408
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
5-iodo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586295
5-iodo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586379
5-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676278
5-bromo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 114676280
5-iodo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 114676479

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one (CID 114676279) is 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is CN1CCCC1CCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is ZCCRKZOMJHCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-15-5-2-3-8(15)4-6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one?
5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).