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

C19H16Br2N2O4 — CID 3369612

IUPAC5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1O
InChIInChI=1S/C19H16Br2N2O4/c1-9(24)13-16(10-6-4-3-5-7-10)22-19(26)23-17(13)11-8-12(27-2)18(25)15(21)14(11)20/h3-8,17,25H,1-2H3,(H2,22,23,26)
InChIKeyOBQYWIYVJGPBCO-UHFFFAOYSA-N
MW496.16 g/mol
LogP4.28
Rot. Bonds4

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

5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3369612) has the molecular formula C19H16Br2N2O4 and a molecular weight of 496.16 g/mol. Its IUPAC name is 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3369612
Molecular FormulaC19H16Br2N2O4
Molecular Weight496.16 g/mol
Exact Mass493.95
IUPAC Name5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1O
InChIInChI=1S/C19H16Br2N2O4/c1-9(24)13-16(10-6-4-3-5-7-10)22-19(26)23-17(13)11-8-12(27-2)18(25)15(21)14(11)20/h3-8,17,25H,1-2H3,(H2,22,23,26)
InChIKeyOBQYWIYVJGPBCO-UHFFFAOYSA-N
XLogP4.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.16
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 3369612) is 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1O.
What is the InChIKey of 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OBQYWIYVJGPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O4/c1-9(24)13-16(10-6-4-3-5-7-10)22-19(26)23-17(13)11-8-12(27-2)18(25)15(21)14(11)20/h3-8,17,25H,1-2H3,(H2,22,23,26).
What are the key properties of 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 496.16 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3369612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).