6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one

C11H17ClN2O2 — CID 107706068

IUPAC6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCCCCO
InChIInChI=1S/C11H17ClN2O2/c1-9-13-10(12)8-11(16)14(9)6-4-2-3-5-7-15/h8,15H,2-7H2,1H3
InChIKeyMYFTXJUMOYQZKV-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.76
Rot. Bonds6

About 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one

6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one (PubChem CID 107706068) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
PubChem CID107706068
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCCCCO
InChIInChI=1S/C11H17ClN2O2/c1-9-13-10(12)8-11(16)14(9)6-4-2-3-5-7-15/h8,15H,2-7H2,1H3
InChIKeyMYFTXJUMOYQZKV-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Hydroxyhexyl)-2,6-dimethylpyrimidin-4-one
CID 107705108
3-(6-Hydroxyhexyl)-5-iodo-2-methylpyrimidin-4-one
CID 107705167
6-Chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706071
6-Chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-Chloro-2-cyclopropyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706086
6-Chloro-3-(6-hydroxyhexyl)-2-propan-2-ylpyrimidin-4-one
CID 113991798
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-Chloro-3-hexyl-2-methylpyrimidin-4-one
CID 114581833
6-Chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one (CID 107706068) is 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCCCCCO.
What is the InChIKey of 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one?
The InChIKey is MYFTXJUMOYQZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-9-13-10(12)8-11(16)14(9)6-4-2-3-5-7-15/h8,15H,2-7H2,1H3.
What are the key properties of 6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one?
6-chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one has a molecular weight of 244.72 g/mol, XLogP of 1.76, 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)-2-methylpyrimidin-4-one is sourced from PubChem (CID 107706068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).