5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C23H26N2O4 — CID 2981472

IUPAC5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-4-13-29-18-12-11-17(14-19(18)28-5-2)22-20(15(3)26)21(24-23(27)25-22)16-9-7-6-8-10-16/h6-12,14,22H,4-5,13H2,1-3H3,(H2,24,25,27)
InChIKeySVMPVVQBSJFGLK-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.23
Rot. Bonds8

About 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2981472) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2981472
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC
InChIInChI=1S/C23H26N2O4/c1-4-13-29-18-12-11-17(14-19(18)28-5-2)22-20(15(3)26)21(24-23(27)25-22)16-9-7-6-8-10-16/h6-12,14,22H,4-5,13H2,1-3H3,(H2,24,25,27)
InChIKeySVMPVVQBSJFGLK-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2981472) is 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CCCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC.
What is the InChIKey of 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is SVMPVVQBSJFGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-13-29-18-12-11-17(14-19(18)28-5-2)22-20(15(3)26)21(24-23(27)25-22)16-9-7-6-8-10-16/h6-12,14,22H,4-5,13H2,1-3H3,(H2,24,25,27).
What are the key properties of 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 394.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(3-ethoxy-4-propoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2981472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).