4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one

C10H15IN2O3 — CID 114675890

IUPAC4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyRGHRYVGQNHLVFO-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.57
Rot. Bonds7

About 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one

4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114675890) has the molecular formula C10H15IN2O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114675890
Molecular FormulaC10H15IN2O3
Molecular Weight338.15 g/mol
Exact Mass338.01
IUPAC Name4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyRGHRYVGQNHLVFO-UHFFFAOYSA-N
XLogP1.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 114676551
5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 102607197
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
5-amino-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241658
4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241664
4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
CID 103241981
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241989

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one (CID 114675890) is 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one is CCCCOCCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RGHRYVGQNHLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 338.15 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114675890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).