2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 79666829

IUPAC2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2ncc(I)c(=O)[nH]2)C1
InChIInChI=1S/C10H14IN3O2/c1-2-14-3-4-16-8(6-14)9-12-5-7(11)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyTVMRNQNIECUDTB-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.77
Rot. Bonds2

About 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one

2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 79666829) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID79666829
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2ncc(I)c(=O)[nH]2)C1
InChIInChI=1S/C10H14IN3O2/c1-2-14-3-4-16-8(6-14)9-12-5-7(11)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyTVMRNQNIECUDTB-UHFFFAOYSA-N
XLogP0.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
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 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one (CID 79666829) is 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one is CCN1CCOC(c2ncc(I)c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is TVMRNQNIECUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-2-14-3-4-16-8(6-14)9-12-5-7(11)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,15).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one?
2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 79666829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).