5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

C8H11BrN2O2 — CID 9412

IUPAC5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C(C)C)c(=O)c1Br
InChIInChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)
InChIKeyPSYBGEADHLUXCS-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.19
Rot. Bonds1

About 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 9412) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID9412
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C(C)C)c(=O)c1Br
InChIInChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)
InChIKeyPSYBGEADHLUXCS-UHFFFAOYSA-N
XLogP1.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bromacil
CID 9411
Bromacil-lithium
CID 18772494
5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 23713
6-Amino-5-bromo-1-ethylpyrimidine-2,4(1H,3H)-dione
CID 1446096
5-Bromo-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione
CID 84758
5-Bromo-3-tert-butyl-6-methyl-1-propylpyrimidine-2,4-dione
CID 2306643
6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 250186
5-Bromo-3,6-dimethyluracil
CID 22832074
Butyl-5-brom-6-methyluracil
CID 54098317
1,6-Dimethyl-5-bromouracil
CID 67142837
(S)-bromacil
CID 40475911
Uracil, 5-bromo-3-sec-butyl-1,6-dimethyl-
CID 5743350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 9412) is 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is PSYBGEADHLUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13).
What are the key properties of 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 247.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 9412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).