3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one

C10H14ClIN2O2 — CID 114583769

IUPAC3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one
SMILESCCCCOCCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-2-3-5-16-6-4-14-7-13-9(11)8(12)10(14)15/h7H,2-6H2,1H3
InChIKeyOHSIOSGUZPZHDB-UHFFFAOYSA-N
MW356.59 g/mol
LogP2.32
Rot. Bonds6

About 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one

3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one (PubChem CID 114583769) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one
PubChem CID114583769
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one
SMILESCCCCOCCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-2-3-5-16-6-4-14-7-13-9(11)8(12)10(14)15/h7H,2-6H2,1H3
InChIKeyOHSIOSGUZPZHDB-UHFFFAOYSA-N
XLogP2.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one (CID 114583769) is 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one is CCCCOCCn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one?
The InChIKey is OHSIOSGUZPZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O2/c1-2-3-5-16-6-4-14-7-13-9(11)8(12)10(14)15/h7H,2-6H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one?
3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one has a molecular weight of 356.59 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-6-chloro-5-iodopyrimidin-4-one is sourced from PubChem (CID 114583769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).