3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione

C11H10BrN3O2 — CID 130323805

IUPAC3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(-c2ccc(Br)cn2)c1=O
InChIInChI=1S/C11H10BrN3O2/c1-7-6-14(2)11(17)15(10(7)16)9-4-3-8(12)5-13-9/h3-6H,1-2H3
InChIKeyAVARQBQTHBKSIB-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.00
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione

3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 130323805) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID130323805
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(-c2ccc(Br)cn2)c1=O
InChIInChI=1S/C11H10BrN3O2/c1-7-6-14(2)11(17)15(10(7)16)9-4-3-8(12)5-13-9/h3-6H,1-2H3
InChIKeyAVARQBQTHBKSIB-UHFFFAOYSA-N
XLogP1.00
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-pyridinyl)-2-methyl-1,2,4-triazol-3-one
CID 23438500
2-(5-bromo-2-pyridinyl)-1-hydroxy-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]isoquinolin-3-one
CID 135555359
1-(5-bromo-2-pyridinyl)-3,3-difluoropyrrolidin-2-one
CID 66678736
4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
CID 65347944
1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
CID 83222873
6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
CID 137251571
5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
CID 118029781
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazol-3-one
CID 66022773
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
2-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163355260
3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551956

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione (CID 130323805) is 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione is Cc1cn(C)c(=O)n(-c2ccc(Br)cn2)c1=O.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is AVARQBQTHBKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-6-14(2)11(17)15(10(7)16)9-4-3-8(12)5-13-9/h3-6H,1-2H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione?
3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 296.12 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 130323805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).