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

C11H16IN3O2 — CID 79668922

IUPAC5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2ncc(I)c(=O)[nH]2)C1
InChIInChI=1S/C11H16IN3O2/c1-2-3-15-4-5-17-9(7-15)10-13-6-8(12)11(16)14-10/h6,9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyGKEMXENBFPNKIO-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.16
Rot. Bonds3

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

5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79668922) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79668922
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2ncc(I)c(=O)[nH]2)C1
InChIInChI=1S/C11H16IN3O2/c1-2-3-15-4-5-17-9(7-15)10-13-6-8(12)11(16)14-10/h6,9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyGKEMXENBFPNKIO-UHFFFAOYSA-N
XLogP1.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.16
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 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79668922) is 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is CCCN1CCOC(c2ncc(I)c(=O)[nH]2)C1.
What is the InChIKey of 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is GKEMXENBFPNKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-2-3-15-4-5-17-9(7-15)10-13-6-8(12)11(16)14-10/h6,9H,2-5,7H2,1H3,(H,13,14,16).
What are the key properties of 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79668922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).