6-chloro-3-nonylpyrimidin-4-one

C13H21ClN2O — CID 114582447

IUPAC6-chloro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-8-9-16-11-15-12(14)10-13(16)17/h10-11H,2-9H2,1H3
InChIKeyJIGZJVRAXKVPKE-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.65
Rot. Bonds8

About 6-chloro-3-nonylpyrimidin-4-one

6-chloro-3-nonylpyrimidin-4-one (PubChem CID 114582447) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 6-chloro-3-nonylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-nonylpyrimidin-4-one
PubChem CID114582447
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name6-chloro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-8-9-16-11-15-12(14)10-13(16)17/h10-11H,2-9H2,1H3
InChIKeyJIGZJVRAXKVPKE-UHFFFAOYSA-N
XLogP3.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-3-nonylpyrimidin-4-one
CID 166235598
5-Fluoro-3-octylpyrimidin-4-one
CID 166235599
3-Tridecan-6-ylpyrimidin-4-one
CID 166789315
6-Chloro-3-hept-6-enylpyrimidin-4-one
CID 107010009
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
5,6-Dichloro-3-decylpyrimidin-4-one
CID 113604356
6-Chloro-2-ethyl-3-octylpyrimidin-4-one
CID 113604480
6-Chloro-3-octyl-2-propan-2-ylpyrimidin-4-one
CID 113604590
6-Chloro-3-heptyl-2-propan-2-ylpyrimidin-4-one
CID 113604609
6-Chloro-2-methyl-3-pentylpyrimidin-4-one
CID 114581604

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nonylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-nonylpyrimidin-4-one (CID 114582447) is 6-chloro-3-nonylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-nonylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-nonylpyrimidin-4-one is CCCCCCCCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-nonylpyrimidin-4-one?
The InChIKey is JIGZJVRAXKVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-3-4-5-6-7-8-9-16-11-15-12(14)10-13(16)17/h10-11H,2-9H2,1H3.
What are the key properties of 6-chloro-3-nonylpyrimidin-4-one?
6-chloro-3-nonylpyrimidin-4-one has a molecular weight of 256.78 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nonylpyrimidin-4-one is sourced from PubChem (CID 114582447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).