5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

C10H15IN2O4 — CID 103179376

IUPAC5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyUQQJGJZOXLWQBD-UHFFFAOYSA-N
MW354.14 g/mol
LogP0.81
Rot. Bonds8

About 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103179376) has the molecular formula C10H15IN2O4 and a molecular weight of 354.14 g/mol. Its IUPAC name is 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID103179376
Molecular FormulaC10H15IN2O4
Molecular Weight354.14 g/mol
Exact Mass354.01
IUPAC Name5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyUQQJGJZOXLWQBD-UHFFFAOYSA-N
XLogP0.81
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179360
5-bromo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179368
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241664
5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
CID 103241975
4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
CID 103241981
5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103242137
4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103242143
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404127
5-iodo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404135
4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103408680

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (CID 103179376) is 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is COCCCOCCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UQQJGJZOXLWQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 354.14 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103179376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).