6-bromo-1,5-dimethylpyrimidine-2,4-dione

C6H7BrN2O2 — CID 90116161

IUPAC6-bromo-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(Br)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)
InChIKeyLQXGGFUWLLKMFI-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.14
Rot. Bonds

About 6-bromo-1,5-dimethylpyrimidine-2,4-dione

6-bromo-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 90116161) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 6-bromo-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromo-1,5-dimethylpyrimidine-2,4-dione
PubChem CID90116161
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name6-bromo-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(Br)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)
InChIKeyLQXGGFUWLLKMFI-UHFFFAOYSA-N
XLogP0.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-bromo-1,5-dimethylpyrimidine-2,4-dione (CID 90116161) is 6-bromo-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-bromo-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-bromo-1,5-dimethylpyrimidine-2,4-dione is Cc1c(Br)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-bromo-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is LQXGGFUWLLKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11).
What are the key properties of 6-bromo-1,5-dimethylpyrimidine-2,4-dione?
6-bromo-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 219.04 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 90116161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).