4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

C12H12IN3O2 — CID 136831511

IUPAC4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC)n2)[nH]c(=O)c1I
InChIInChI=1S/C12H12IN3O2/c1-3-7-10(13)12(17)16-11(15-7)8-5-4-6-9(14-8)18-2/h4-6H,3H2,1-2H3,(H,15,16,17)
InChIKeyOUACQAJAABRSOD-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.01
Rot. Bonds3

About 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 136831511) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID136831511
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC)n2)[nH]c(=O)c1I
InChIInChI=1S/C12H12IN3O2/c1-3-7-10(13)12(17)16-11(15-7)8-5-4-6-9(14-8)18-2/h4-6H,3H2,1-2H3,(H,15,16,17)
InChIKeyOUACQAJAABRSOD-UHFFFAOYSA-N
XLogP2.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.01
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 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (CID 136831511) is 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is CCc1nc(-c2cccc(OC)n2)[nH]c(=O)c1I.
What is the InChIKey of 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is OUACQAJAABRSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-3-7-10(13)12(17)16-11(15-7)8-5-4-6-9(14-8)18-2/h4-6H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 357.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136831511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).