5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C16H19BrN6O3 — CID 86868783

IUPAC5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)nc(C)n1
InChIInChI=1S/C16H19BrN6O3/c1-10-7-13(19-11(2)18-10)21-3-5-22(6-4-21)14(24)9-23-8-12(17)15(25)20-16(23)26/h7-8H,3-6,9H2,1-2H3,(H,20,25,26)
InChIKeyQKOPDRHFOBOBOM-UHFFFAOYSA-N
MW423.27 g/mol
LogP0.05
Rot. Bonds3

About 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 86868783) has the molecular formula C16H19BrN6O3 and a molecular weight of 423.27 g/mol. Its IUPAC name is 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID86868783
Molecular FormulaC16H19BrN6O3
Molecular Weight423.27 g/mol
Exact Mass422.07
IUPAC Name5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)nc(C)n1
InChIInChI=1S/C16H19BrN6O3/c1-10-7-13(19-11(2)18-10)21-3-5-22(6-4-21)14(24)9-23-8-12(17)15(25)20-16(23)26/h7-8H,3-6,9H2,1-2H3,(H,20,25,26)
InChIKeyQKOPDRHFOBOBOM-UHFFFAOYSA-N
XLogP0.05
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 146123254
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CID 122333139
6-methyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122332650
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CID 60603145
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
2-(benzimidazol-1-yl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 70703750
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
5-methyl-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]pyrimidine-2,4-dione
CID 53299297
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 91631597
6-cyclopropyl-3-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122339848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 86868783) is 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1cc(N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)nc(C)n1.
What is the InChIKey of 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is QKOPDRHFOBOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O3/c1-10-7-13(19-11(2)18-10)21-3-5-22(6-4-21)14(24)9-23-8-12(17)15(25)20-16(23)26/h7-8H,3-6,9H2,1-2H3,(H,20,25,26).
What are the key properties of 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 423.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 86868783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).