5-benzyl-3-propan-2-ylpyrimidin-4-one

C14H16N2O — CID 58170128

IUPAC5-benzyl-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cncc(Cc2ccccc2)c1=O
InChIInChI=1S/C14H16N2O/c1-11(2)16-10-15-9-13(14(16)17)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyHUWBZWHXICPPCS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds3

About 5-benzyl-3-propan-2-ylpyrimidin-4-one

5-benzyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 58170128) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-benzyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-propan-2-ylpyrimidin-4-one
PubChem CID58170128
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-benzyl-3-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cncc(Cc2ccccc2)c1=O
InChIInChI=1S/C14H16N2O/c1-11(2)16-10-15-9-13(14(16)17)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKeyHUWBZWHXICPPCS-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-benzyl-3-propan-2-ylpyrimidin-4-one (CID 58170128) is 5-benzyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-benzyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-benzyl-3-propan-2-ylpyrimidin-4-one is CC(C)n1cncc(Cc2ccccc2)c1=O.
What is the InChIKey of 5-benzyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is HUWBZWHXICPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(2)16-10-15-9-13(14(16)17)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 5-benzyl-3-propan-2-ylpyrimidin-4-one?
5-benzyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 228.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 58170128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).