6-chloro-3-decyl-2-methylpyrimidin-4-one

C15H25ClN2O — CID 114581974

IUPAC6-chloro-3-decyl-2-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-9-10-11-18-13(2)17-14(16)12-15(18)19/h12H,3-11H2,1-2H3
InChIKeyVIRIVSFJIHYKAJ-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.35
Rot. Bonds9

About 6-chloro-3-decyl-2-methylpyrimidin-4-one

6-chloro-3-decyl-2-methylpyrimidin-4-one (PubChem CID 114581974) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 6-chloro-3-decyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-decyl-2-methylpyrimidin-4-one
PubChem CID114581974
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name6-chloro-3-decyl-2-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-9-10-11-18-13(2)17-14(16)12-15(18)19/h12H,3-11H2,1-2H3
InChIKeyVIRIVSFJIHYKAJ-UHFFFAOYSA-N
XLogP4.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-decyl-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-decyl-2-methylpyrimidin-4-one (CID 114581974) is 6-chloro-3-decyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-decyl-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-decyl-2-methylpyrimidin-4-one is CCCCCCCCCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-decyl-2-methylpyrimidin-4-one?
The InChIKey is VIRIVSFJIHYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-4-5-6-7-8-9-10-11-18-13(2)17-14(16)12-15(18)19/h12H,3-11H2,1-2H3.
What are the key properties of 6-chloro-3-decyl-2-methylpyrimidin-4-one?
6-chloro-3-decyl-2-methylpyrimidin-4-one has a molecular weight of 284.83 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-decyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).