6-chloro-3-decylpyrimidin-4-one

C14H23ClN2O — CID 114582414

IUPAC6-chloro-3-decylpyrimidin-4-one
SMILESCCCCCCCCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C14H23ClN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-13(15)11-14(17)18/h11-12H,2-10H2,1H3
InChIKeyPONWMQSIVFTLJI-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.04
Rot. Bonds9

About 6-chloro-3-decylpyrimidin-4-one

6-chloro-3-decylpyrimidin-4-one (PubChem CID 114582414) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 6-chloro-3-decylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-decylpyrimidin-4-one
PubChem CID114582414
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name6-chloro-3-decylpyrimidin-4-one
SMILESCCCCCCCCCCn1cnc(Cl)cc1=O
InChIInChI=1S/C14H23ClN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-13(15)11-14(17)18/h11-12H,2-10H2,1H3
InChIKeyPONWMQSIVFTLJI-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-3-decylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-decylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-decylpyrimidin-4-one (CID 114582414) is 6-chloro-3-decylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-decylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-decylpyrimidin-4-one is CCCCCCCCCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-decylpyrimidin-4-one?
The InChIKey is PONWMQSIVFTLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-2-3-4-5-6-7-8-9-10-17-12-16-13(15)11-14(17)18/h11-12H,2-10H2,1H3.
What are the key properties of 6-chloro-3-decylpyrimidin-4-one?
6-chloro-3-decylpyrimidin-4-one has a molecular weight of 270.80 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-decylpyrimidin-4-one is sourced from PubChem (CID 114582414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).