3-decyl-2,6-dimethylpyrimidin-4-one

C16H28N2O — CID 175080397

IUPAC3-decyl-2,6-dimethylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-18-15(3)17-14(2)13-16(18)19/h13H,4-12H2,1-3H3
InChIKeyBXUXRYZCUJWLBN-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.00
Rot. Bonds9

About 3-decyl-2,6-dimethylpyrimidin-4-one

3-decyl-2,6-dimethylpyrimidin-4-one (PubChem CID 175080397) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-decyl-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-decyl-2,6-dimethylpyrimidin-4-one
PubChem CID175080397
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-decyl-2,6-dimethylpyrimidin-4-one
SMILESCCCCCCCCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-18-15(3)17-14(2)13-16(18)19/h13H,4-12H2,1-3H3
InChIKeyBXUXRYZCUJWLBN-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.00
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 3-decyl-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-decyl-2,6-dimethylpyrimidin-4-one (CID 175080397) is 3-decyl-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-decyl-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-decyl-2,6-dimethylpyrimidin-4-one is CCCCCCCCCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-decyl-2,6-dimethylpyrimidin-4-one?
The InChIKey is BXUXRYZCUJWLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-18-15(3)17-14(2)13-16(18)19/h13H,4-12H2,1-3H3.
What are the key properties of 3-decyl-2,6-dimethylpyrimidin-4-one?
3-decyl-2,6-dimethylpyrimidin-4-one has a molecular weight of 264.41 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 175080397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).