1,3-dibenzoyl-5-bromopyrimidine-2,4-dione

C18H11BrN2O4 — CID 142771041

IUPAC1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H11BrN2O4/c19-14-11-20(15(22)12-7-3-1-4-8-12)18(25)21(17(14)24)16(23)13-9-5-2-6-10-13/h1-11H
InChIKeyPVVQFDLLMRJANZ-UHFFFAOYSA-N
MW399.20 g/mol
LogP2.15
Rot. Bonds2

About 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione

1,3-dibenzoyl-5-bromopyrimidine-2,4-dione (PubChem CID 142771041) has the molecular formula C18H11BrN2O4 and a molecular weight of 399.20 g/mol. Its IUPAC name is 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
PubChem CID142771041
Molecular FormulaC18H11BrN2O4
Molecular Weight399.20 g/mol
Exact Mass397.99
IUPAC Name1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C18H11BrN2O4/c19-14-11-20(15(22)12-7-3-1-4-8-12)18(25)21(17(14)24)16(23)13-9-5-2-6-10-13/h1-11H
InChIKeyPVVQFDLLMRJANZ-UHFFFAOYSA-N
XLogP2.15
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
CID 10755473
3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
CID 11995490
3-benzoyl-5-methyl-1-(2-propylpent-1-enyl)pyrimidine-2,4-dione
CID 10783355
3-benzoyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4-dione
CID 102022279
3-benzoyl-5-methyl-1-prop-2-ynylpyrimidine-2,4-dione
CID 11737243
3-benzoyl-5-fluoro-N-octyl-2,4-dioxopyrimidine-1-carboxamide
CID 72550231
1-[(3aR,6R,6aS)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-3-benzoyl-5-bromopyrimidine-2,4-dione
CID 11477897
1-benzoyl-4-bromoindole-3-carbaldehyde
CID 155678231
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
3-benzoyl-5-methyl-1-pent-4-ynylpyrimidine-2,4-dione
CID 100999364
5,6-diamino-3-benzoyl-1-butylpyrimidine-2,4-dione
CID 10266899
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione (CID 142771041) is 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione is O=C(c1ccccc1)n1cc(Br)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione?
The InChIKey is PVVQFDLLMRJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O4/c19-14-11-20(15(22)12-7-3-1-4-8-12)18(25)21(17(14)24)16(23)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione?
1,3-dibenzoyl-5-bromopyrimidine-2,4-dione has a molecular weight of 399.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzoyl-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 142771041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).