4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one

C10H7BrClN3O — CID 71742585

IUPAC4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C10H7BrClN3O/c11-8-5-15(10(16)14-9(8)13)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,16)
InChIKeyMKPRDEPJHYGMOK-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.23
Rot. Bonds1

About 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one

4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one (PubChem CID 71742585) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one
PubChem CID71742585
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C10H7BrClN3O/c11-8-5-15(10(16)14-9(8)13)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,16)
InChIKeyMKPRDEPJHYGMOK-UHFFFAOYSA-N
XLogP2.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one (CID 71742585) is 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one is Nc1nc(=O)n(-c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one?
The InChIKey is MKPRDEPJHYGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-8-5-15(10(16)14-9(8)13)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,16).
What are the key properties of 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one?
4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one has a molecular weight of 300.54 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-(3-chlorophenyl)pyrimidin-2-one is sourced from PubChem (CID 71742585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).