4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one

C13H14N2O2 — CID 135483748

IUPAC4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C13H14N2O2/c1-9-11(8-10-6-4-3-5-7-10)14-13(17-2)15-12(9)16/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyKJPCLJNYDSXNCT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds3

About 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one

4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 135483748) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID135483748
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C13H14N2O2/c1-9-11(8-10-6-4-3-5-7-10)14-13(17-2)15-12(9)16/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyKJPCLJNYDSXNCT-UHFFFAOYSA-N
XLogP1.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one (CID 135483748) is 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(Cc2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KJPCLJNYDSXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-11(8-10-6-4-3-5-7-10)14-13(17-2)15-12(9)16/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one?
4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135483748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).