[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite

C18H29IN2O3 — CID 134581891

IUPAC[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite
SMILESCC(COI)CC(C)Cc1ncc(OC2CC(OC(C)C)C2)cn1
InChIInChI=1S/C18H29IN2O3/c1-12(2)23-15-7-16(8-15)24-17-9-20-18(21-10-17)6-13(3)5-14(4)11-22-19/h9-10,12-16H,5-8,11H2,1-4H3
InChIKeyULDVSXFJMZDFIV-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.38
Rot. Bonds10

About [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite

[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite (PubChem CID 134581891) has the molecular formula C18H29IN2O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite.

Molecular Properties

Compound Name[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite
PubChem CID134581891
Molecular FormulaC18H29IN2O3
Molecular Weight448.35 g/mol
Exact Mass448.12
IUPAC Name[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite
SMILESCC(COI)CC(C)Cc1ncc(OC2CC(OC(C)C)C2)cn1
InChIInChI=1S/C18H29IN2O3/c1-12(2)23-15-7-16(8-15)24-17-9-20-18(21-10-17)6-13(3)5-14(4)11-22-19/h9-10,12-16H,5-8,11H2,1-4H3
InChIKeyULDVSXFJMZDFIV-UHFFFAOYSA-N
XLogP4.38
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
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 [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite?
The IUPAC name of [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite (CID 134581891) is [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite.
What is the SMILES notation for [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite?
The canonical SMILES for [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite is CC(COI)CC(C)Cc1ncc(OC2CC(OC(C)C)C2)cn1.
What is the InChIKey of [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite?
The InChIKey is ULDVSXFJMZDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29IN2O3/c1-12(2)23-15-7-16(8-15)24-17-9-20-18(21-10-17)6-13(3)5-14(4)11-22-19/h9-10,12-16H,5-8,11H2,1-4H3.
What are the key properties of [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite?
[2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite has a molecular weight of 448.35 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite is sourced from PubChem (CID 134581891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).