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

C10H14ClIN2O2 — CID 107706081

IUPAC6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14ClIN2O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyGXQIHHNJAURXCN-UHFFFAOYSA-N
MW356.59 g/mol
LogP2.05
Rot. Bonds6

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

6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one (PubChem CID 107706081) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
PubChem CID107706081
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCCCCO
InChIInChI=1S/C10H14ClIN2O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6H2
InChIKeyGXQIHHNJAURXCN-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.05
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

3-(5-Hydroxypentyl)-5-iodopyrimidin-4-one
CID 66308627
3-(6-Hydroxyhexyl)-5-iodopyrimidin-4-one
CID 107705163
3-(6-Hydroxyhexyl)-5-iodo-6-methylpyrimidin-4-one
CID 107705166
6-Chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706071
5,6-Dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706077
5-Bromo-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706078
6-Chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582253
5,6-Dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
6-Chloro-3-(3-hydroxypropyl)-5-iodopyrimidin-4-one
CID 114583774
6-Chloro-3-(3-hydroxybutyl)-5-iodopyrimidin-4-one
CID 114583907
6-Chloro-3-(4-hydroxybutyl)-5-iodopyrimidin-4-one
CID 114583935
6-Chloro-3-(5-hydroxypentyl)-5-iodopyrimidin-4-one
CID 114583974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one (CID 107706081) is 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCCCCCO.
What is the InChIKey of 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
The InChIKey is GXQIHHNJAURXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O2/c11-9-8(12)10(16)14(7-13-9)5-3-1-2-4-6-15/h7,15H,1-6H2.
What are the key properties of 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one?
6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one has a molecular weight of 356.59 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 107706081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).