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

C16H28N2O2 — CID 79375605

IUPAC3-decyl-2-methoxy-6-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-9-10-11-12-18-15(19)13-14(2)17-16(18)20-3/h13H,4-12H2,1-3H3
InChIKeyFWNRPISFHHSZTJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.70
Rot. Bonds10

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

3-decyl-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79375605) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-decyl-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-decyl-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79375605
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-decyl-2-methoxy-6-methylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-8-9-10-11-12-18-15(19)13-14(2)17-16(18)20-3/h13H,4-12H2,1-3H3
InChIKeyFWNRPISFHHSZTJ-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-decyl-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-decyl-2-methoxy-6-methylpyrimidin-4-one (CID 79375605) is 3-decyl-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-decyl-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-decyl-2-methoxy-6-methylpyrimidin-4-one is CCCCCCCCCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-decyl-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is FWNRPISFHHSZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-8-9-10-11-12-18-15(19)13-14(2)17-16(18)20-3/h13H,4-12H2,1-3H3.
What are the key properties of 3-decyl-2-methoxy-6-methylpyrimidin-4-one?
3-decyl-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 280.41 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).