5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

C8H12IN3O2 — CID 114586315

IUPAC5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyUICDJAJMOCZRAY-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.36
Rot. Bonds4

About 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one

5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (PubChem CID 114586315) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
PubChem CID114586315
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
SMILESCNCC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13)
InChIKeyUICDJAJMOCZRAY-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.36
H-Bond Donors ≤ 52
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-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one (CID 114586315) is 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is CNCC(C)Oc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
The InChIKey is UICDJAJMOCZRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-5(3-10-2)14-8-6(9)7(13)11-4-12-8/h4-5,10H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one?
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).