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

C10H7BrClN3O2 — CID 17333774

IUPAC6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7BrClN3O2/c11-7-8(13)15(10(17)14-9(7)16)6-3-1-5(12)2-4-6/h1-4H,13H2,(H,14,16,17)
InChIKeyVWYOUMNLUJDXHN-UHFFFAOYSA-N
MW316.54 g/mol
LogP1.52
Rot. Bonds1

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

6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 17333774) has the molecular formula C10H7BrClN3O2 and a molecular weight of 316.54 g/mol. Its IUPAC name is 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID17333774
Molecular FormulaC10H7BrClN3O2
Molecular Weight316.54 g/mol
Exact Mass314.94
IUPAC Name6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C10H7BrClN3O2/c11-7-8(13)15(10(17)14-9(7)16)6-3-1-5(12)2-4-6/h1-4H,13H2,(H,14,16,17)
InChIKeyVWYOUMNLUJDXHN-UHFFFAOYSA-N
XLogP1.52
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 51.52
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-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 17333774) is 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione is Nc1c(Br)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is VWYOUMNLUJDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O2/c11-7-8(13)15(10(17)14-9(7)16)6-3-1-5(12)2-4-6/h1-4H,13H2,(H,14,16,17).
What are the key properties of 6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione?
6-amino-5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 316.54 g/mol, XLogP of 1.52, 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-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 17333774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).