5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione

C10H15BrN2O2 — CID 150835036

IUPAC5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)n(C(C)CC)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-4-6(3)13-9(14)8(11)7(5-2)12-10(13)15/h6H,4-5H2,1-3H3,(H,12,15)
InChIKeyKMUKPCQOOGNNRC-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.83
Rot. Bonds3

About 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione

5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 150835036) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione
PubChem CID150835036
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1[nH]c(=O)n(C(C)CC)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-4-6(3)13-9(14)8(11)7(5-2)12-10(13)15/h6H,4-5H2,1-3H3,(H,12,15)
InChIKeyKMUKPCQOOGNNRC-UHFFFAOYSA-N
XLogP1.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bromacil
CID 9411
Bromacil-lithium
CID 18772494
Isocil
CID 9412
5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
Butyl-5-brom-6-methyluracil
CID 54098317
(S)-bromacil
CID 40475911
Uracil, 5-bromo-3-sec-butyl-1,6-dimethyl-
CID 5743350
5-bromo-3-butan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21510782
Bromacil-sodium
CID 23707520
Bromacil dimethylammonium
CID 86278206
sek.-Butyl-brom-methyl-uracil
CID 129636449
lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
CID 23623805

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione (CID 150835036) is 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione is CCc1[nH]c(=O)n(C(C)CC)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is KMUKPCQOOGNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-6(3)13-9(14)8(11)7(5-2)12-10(13)15/h6H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione?
5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 275.15 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butan-2-yl-6-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150835036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).