5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione

C14H19BrN4O4 — CID 162083169

IUPAC5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(Br)c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9BrN2O2.C7H10N2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11)
InChIKeyZCPLIKOVGUURPZ-UHFFFAOYSA-N
MW387.23 g/mol
LogP1.00
Rot. Bonds2

About 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione

5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 162083169) has the molecular formula C14H19BrN4O4 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
PubChem CID162083169
Molecular FormulaC14H19BrN4O4
Molecular Weight387.23 g/mol
Exact Mass386.06
IUPAC Name5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(Br)c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9BrN2O2.C7H10N2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11)
InChIKeyZCPLIKOVGUURPZ-UHFFFAOYSA-N
XLogP1.00
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
5-chloro-1-propan-2-ylpyrimidine-2,4-dione
CID 58194995
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 175852243
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
CID 66841272
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
2-oxo-3-propan-2-yl-1H-imidazole-5-carboxylic acid
CID 117190011
2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
CID 84707700
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione (CID 162083169) is 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1cc(Br)c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ZCPLIKOVGUURPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2.C7H10N2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H,9,11,12);3-5H,1-2H3,(H,8,10,11).
What are the key properties of 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione?
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 387.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 162083169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).