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

C16H20N2O5 — CID 2909177

IUPAC5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,14H,1-5H3,(H2,17,18,20)
InChIKeyGUVROHMRMDARPC-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.93
Rot. Bonds5

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

5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2909177) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2909177
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)cc(OC)c1OC
InChIInChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,14H,1-5H3,(H2,17,18,20)
InChIKeyGUVROHMRMDARPC-UHFFFAOYSA-N
XLogP1.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 2909177) is 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is COc1cc(C2NC(=O)NC(C)=C2C(C)=O)cc(OC)c1OC.
What is the InChIKey of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GUVROHMRMDARPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-8-13(9(2)19)14(18-16(20)17-8)10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,14H,1-5H3,(H2,17,18,20).
What are the key properties of 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2909177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).