5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one

C8H12IN3O2 — CID 136957684

IUPAC5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-12(3-4-14-2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyGHKOSPCYAVIRIV-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.46
Rot. Bonds4

About 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957684) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136957684
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-12(3-4-14-2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyGHKOSPCYAVIRIV-UHFFFAOYSA-N
XLogP0.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.46
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-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one (CID 136957684) is 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one is COCCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GHKOSPCYAVIRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-12(3-4-14-2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.46, 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-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).