5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C10H15IN2O2 — CID 103036346

IUPAC5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyRYKPVJUMYWBRHU-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.66
Rot. Bonds4

About 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036346) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036346
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyRYKPVJUMYWBRHU-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
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-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036346) is 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cncc(I)c1=O.
What is the InChIKey of 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is RYKPVJUMYWBRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-10(2,15-3)4-5-13-7-12-6-8(11)9(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 322.15 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).