2-methoxy-6-methyl-3-phenacylpyrimidin-4-one

C14H14N2O3 — CID 79374029

IUPAC2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-8-13(18)16(14(15-10)19-2)9-12(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyNMNMRHAOUFHHGS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.44
Rot. Bonds4

About 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one

2-methoxy-6-methyl-3-phenacylpyrimidin-4-one (PubChem CID 79374029) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
PubChem CID79374029
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C14H14N2O3/c1-10-8-13(18)16(14(15-10)19-2)9-12(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyNMNMRHAOUFHHGS-UHFFFAOYSA-N
XLogP1.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one (CID 79374029) is 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one is COc1nc(C)cc(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one?
The InChIKey is NMNMRHAOUFHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-8-13(18)16(14(15-10)19-2)9-12(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one?
2-methoxy-6-methyl-3-phenacylpyrimidin-4-one has a molecular weight of 258.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-phenacylpyrimidin-4-one is sourced from PubChem (CID 79374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).