3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one

C10H15IN2O2 — CID 107705163

IUPAC3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCCCCO
InChIInChI=1S/C10H15IN2O2/c11-9-7-12-8-13(10(9)15)5-3-1-2-4-6-14/h7-8,14H,1-6H2
InChIKeyPNAULYVSXBYJMR-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.40
Rot. Bonds6

About 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one

3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one (PubChem CID 107705163) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
PubChem CID107705163
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCCCCO
InChIInChI=1S/C10H15IN2O2/c11-9-7-12-8-13(10(9)15)5-3-1-2-4-6-14/h7-8,14H,1-6H2
InChIKeyPNAULYVSXBYJMR-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The IUPAC name of 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one (CID 107705163) is 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The InChIKey is PNAULYVSXBYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c11-9-7-12-8-13(10(9)15)5-3-1-2-4-6-14/h7-8,14H,1-6H2.
What are the key properties of 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one has a molecular weight of 322.15 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 107705163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).