4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

C11H11IN4O2 — CID 136790340

IUPAC4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(OC)nn2)[nH]c(=O)c1I
InChIInChI=1S/C11H11IN4O2/c1-3-6-9(12)11(17)14-10(13-6)7-4-5-8(18-2)16-15-7/h4-5H,3H2,1-2H3,(H,13,14,17)
InChIKeyDWYSBZLKWDGSKT-UHFFFAOYSA-N
MW358.14 g/mol
LogP1.40
Rot. Bonds3

About 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136790340) has the molecular formula C11H11IN4O2 and a molecular weight of 358.14 g/mol. Its IUPAC name is 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
PubChem CID136790340
Molecular FormulaC11H11IN4O2
Molecular Weight358.14 g/mol
Exact Mass357.99
IUPAC Name4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(OC)nn2)[nH]c(=O)c1I
InChIInChI=1S/C11H11IN4O2/c1-3-6-9(12)11(17)14-10(13-6)7-4-5-8(18-2)16-15-7/h4-5H,3H2,1-2H3,(H,13,14,17)
InChIKeyDWYSBZLKWDGSKT-UHFFFAOYSA-N
XLogP1.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (CID 136790340) is 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is CCc1nc(-c2ccc(OC)nn2)[nH]c(=O)c1I.
What is the InChIKey of 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is DWYSBZLKWDGSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O2/c1-3-6-9(12)11(17)14-10(13-6)7-4-5-8(18-2)16-15-7/h4-5H,3H2,1-2H3,(H,13,14,17).
What are the key properties of 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 358.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136790340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).