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

C7H8ClIN2O2 — CID 114583831

IUPAC6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C7H8ClIN2O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2H2,1H3
InChIKeyXXTXTWWRNONWTC-UHFFFAOYSA-N
MW314.51 g/mol
LogP0.88
Rot. Bonds2

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

6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one (PubChem CID 114583831) has the molecular formula C7H8ClIN2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
PubChem CID114583831
Molecular FormulaC7H8ClIN2O2
Molecular Weight314.51 g/mol
Exact Mass313.93
IUPAC Name6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C7H8ClIN2O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2H2,1H3
InChIKeyXXTXTWWRNONWTC-UHFFFAOYSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-5-iodo-3,4-dihydropyrimidin-4-one
CID 165595570
3-(3-Fluoro-2-hydroxypropyl)-5-iodo-6-methyl-3,4-dihydropyrimidin-4-one
CID 165604907
3-(2-Hydroxypropyl)-5-iodopyrimidin-4-one
CID 66308856
3-(2-Hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
CID 66343121
3-(3-Hydroxybutan-2-yl)-5-iodopyrimidin-4-one
CID 80076171
3-(3-Hydroxybutan-2-yl)-5-iodo-6-methylpyrimidin-4-one
CID 80076172
3-(3-Chloro-2-hydroxypropyl)-5-iodopyrimidin-4-one
CID 112560374
3-(3-Chloro-2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
CID 112560376
6-Chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582111
5-Amino-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582550
5,6-Dichloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114582978
5-Bromo-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114583405

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one (CID 114583831) is 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one is CC(O)Cn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
The InChIKey is XXTXTWWRNONWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClIN2O2/c1-4(12)2-11-3-10-6(8)5(9)7(11)13/h3-4,12H,2H2,1H3.
What are the key properties of 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one?
6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one has a molecular weight of 314.51 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxypropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114583831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).