5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C15H18BrN3O2 — CID 50888191

IUPAC5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-8-13(9(2)20)14(18-15(21)17-8)10-5-6-12(19(3)4)11(16)7-10/h5-7,14H,1-4H3,(H2,17,18,21)
InChIKeyPWJHDYVNEALGRW-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.73
Rot. Bonds3

About 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 50888191) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID50888191
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C15H18BrN3O2/c1-8-13(9(2)20)14(18-15(21)17-8)10-5-6-12(19(3)4)11(16)7-10/h5-7,14H,1-4H3,(H2,17,18,21)
InChIKeyPWJHDYVNEALGRW-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 50888191) is 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)c(Br)c1.
What is the InChIKey of 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is PWJHDYVNEALGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-8-13(9(2)20)14(18-15(21)17-8)10-5-6-12(19(3)4)11(16)7-10/h5-7,14H,1-4H3,(H2,17,18,21).
What are the key properties of 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 352.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 50888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).