6-bromo-1,3-dimethylpteridine-2,4-dione

C8H7BrN4O2 — CID 641023

IUPAC6-bromo-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(Br)cnc2n(C)c1=O
InChIInChI=1S/C8H7BrN4O2/c1-12-6-5(11-4(9)3-10-6)7(14)13(2)8(12)15/h3H,1-2H3
InChIKeyVWSZKOXSEWGKOS-UHFFFAOYSA-N
MW271.07 g/mol
LogP-0.21
Rot. Bonds

About 6-bromo-1,3-dimethylpteridine-2,4-dione

6-bromo-1,3-dimethylpteridine-2,4-dione (PubChem CID 641023) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-bromo-1,3-dimethylpteridine-2,4-dione
PubChem CID641023
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name6-bromo-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(Br)cnc2n(C)c1=O
InChIInChI=1S/C8H7BrN4O2/c1-12-6-5(11-4(9)3-10-6)7(14)13(2)8(12)15/h3H,1-2H3
InChIKeyVWSZKOXSEWGKOS-UHFFFAOYSA-N
XLogP-0.21
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethylpteridine-2,4-dione?
The IUPAC name of 6-bromo-1,3-dimethylpteridine-2,4-dione (CID 641023) is 6-bromo-1,3-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-bromo-1,3-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-bromo-1,3-dimethylpteridine-2,4-dione is Cn1c(=O)c2nc(Br)cnc2n(C)c1=O.
What is the InChIKey of 6-bromo-1,3-dimethylpteridine-2,4-dione?
The InChIKey is VWSZKOXSEWGKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-12-6-5(11-4(9)3-10-6)7(14)13(2)8(12)15/h3H,1-2H3.
What are the key properties of 6-bromo-1,3-dimethylpteridine-2,4-dione?
6-bromo-1,3-dimethylpteridine-2,4-dione has a molecular weight of 271.07 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylpteridine-2,4-dione is sourced from PubChem (CID 641023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).