6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione

C12H12BrN3O2 — CID 1250749

IUPAC6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C12H12BrN3O2/c1-6-3-4-8(5-7(6)2)16-10(14)9(13)11(17)15-12(16)18/h3-5H,14H2,1-2H3,(H,15,17,18)
InChIKeyIOMPXPSUEYRTQG-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.49
Rot. Bonds1

About 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione

6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione (PubChem CID 1250749) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione
PubChem CID1250749
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1C
InChIInChI=1S/C12H12BrN3O2/c1-6-3-4-8(5-7(6)2)16-10(14)9(13)11(17)15-12(16)18/h3-5H,14H2,1-2H3,(H,15,17,18)
InChIKeyIOMPXPSUEYRTQG-UHFFFAOYSA-N
XLogP1.49
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione (CID 1250749) is 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1C.
What is the InChIKey of 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione?
The InChIKey is IOMPXPSUEYRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-6-3-4-8(5-7(6)2)16-10(14)9(13)11(17)15-12(16)18/h3-5H,14H2,1-2H3,(H,15,17,18).
What are the key properties of 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione?
6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-(3,4-dimethylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1250749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).