1-(9-bromononyl)-5-methylpyrimidin-2-one

C14H23BrN2O — CID 105343130

IUPAC1-(9-bromononyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCCCCCCCBr)c1
InChIInChI=1S/C14H23BrN2O/c1-13-11-16-14(18)17(12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3
InChIKeyOREGYOASUWTPKW-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.68
Rot. Bonds9

About 1-(9-bromononyl)-5-methylpyrimidin-2-one

1-(9-bromononyl)-5-methylpyrimidin-2-one (PubChem CID 105343130) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(9-bromononyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(9-bromononyl)-5-methylpyrimidin-2-one
PubChem CID105343130
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name1-(9-bromononyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCCCCCCCBr)c1
InChIInChI=1S/C14H23BrN2O/c1-13-11-16-14(18)17(12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3
InChIKeyOREGYOASUWTPKW-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9-bromononyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(9-bromononyl)-5-methylpyrimidin-2-one (CID 105343130) is 1-(9-bromononyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(9-bromononyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(9-bromononyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCCCCCCCCBr)c1.
What is the InChIKey of 1-(9-bromononyl)-5-methylpyrimidin-2-one?
The InChIKey is OREGYOASUWTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-13-11-16-14(18)17(12-13)10-8-6-4-2-3-5-7-9-15/h11-12H,2-10H2,1H3.
What are the key properties of 1-(9-bromononyl)-5-methylpyrimidin-2-one?
1-(9-bromononyl)-5-methylpyrimidin-2-one has a molecular weight of 315.25 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-bromononyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 105343130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).