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

C9H13BrLiN2O2+ — CID 23623805

IUPAClithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.[Li+]
InChIInChI=1S/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,14);/q;+1
InChIKeyBJLAKIGBVNZDDN-UHFFFAOYSA-N
MW268.06 g/mol
LogP-1.42
Rot. Bonds2

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

lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 23623805) has the molecular formula C9H13BrLiN2O2+ and a molecular weight of 268.06 g/mol. Its IUPAC name is lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namelithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID23623805
Molecular FormulaC9H13BrLiN2O2+
Molecular Weight268.06 g/mol
Exact Mass267.03
IUPAC Namelithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.[Li+]
InChIInChI=1S/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,14);/q;+1
InChIKeyBJLAKIGBVNZDDN-UHFFFAOYSA-N
XLogP-1.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bromacil
CID 9411
Isocil
CID 9412
Bromacil-lithium
CID 18772494
5-Bromo-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 23713
6-Amino-5-bromo-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2386152
5-Bromo-3-tert-butyl-6-methyl-1-propylpyrimidine-2,4-dione
CID 2306643
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
5-bromo-3-propyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21510773

Frequently Asked Questions

What is the IUPAC name of lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione (CID 23623805) is lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione is CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.[Li+].
What is the InChIKey of lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BJLAKIGBVNZDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,14);/q;+1.
What are the key properties of lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione?
lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 268.06 g/mol, XLogP of -1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23623805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).