5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C14H16N2O3 — CID 2818276

IUPAC5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1
InChIInChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-4-6-11(19-3)7-5-10/h4-7,13H,1-3H3,(H2,15,16,18)
InChIKeyGMAHGFPYDWPUKV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.91
Rot. Bonds3

About 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2818276) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2818276
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1
InChIInChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-4-6-11(19-3)7-5-10/h4-7,13H,1-3H3,(H2,15,16,18)
InChIKeyGMAHGFPYDWPUKV-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2818276) is 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1.
What is the InChIKey of 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GMAHGFPYDWPUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-12(9(2)17)13(16-14(18)15-8)10-4-6-11(19-3)7-5-10/h4-7,13H,1-3H3,(H2,15,16,18).
What are the key properties of 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2818276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).