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

C10H14IN3O2 — CID 114676265

IUPAC5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCC2)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15)
InChIKeyPAGGZPLOESWNLK-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.85
Rot. Bonds4

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

5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114676265) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114676265
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCC2)c1I
InChIInChI=1S/C10H14IN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15)
InChIKeyPAGGZPLOESWNLK-UHFFFAOYSA-N
XLogP0.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.85
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

4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 102740477
5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241428
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
5-iodo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586295
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
5-iodo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586324
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343
5-iodo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586388
4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114676262

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 114676265) is 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCN2CCCC2)c1I.
What is the InChIKey of 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is PAGGZPLOESWNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15).
What are the key properties of 5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
5-iodo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.85, 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-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).