2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one

C6H3BrF5N3O — CID 137079387

IUPAC2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)C(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H3BrF5N3O/c7-1-2(5(8,9)6(10,11)12)14-4(13)15-3(1)16/h(H3,13,14,15,16)
InChIKeyGLZVYAYXGUJFJF-UHFFFAOYSA-N
MW308.00 g/mol
LogP1.77
Rot. Bonds1

About 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one (PubChem CID 137079387) has the molecular formula C6H3BrF5N3O and a molecular weight of 308.00 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
PubChem CID137079387
Molecular FormulaC6H3BrF5N3O
Molecular Weight308.00 g/mol
Exact Mass306.94
IUPAC Name2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)C(F)(F)F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H3BrF5N3O/c7-1-2(5(8,9)6(10,11)12)14-4(13)15-3(1)16/h(H3,13,14,15,16)
InChIKeyGLZVYAYXGUJFJF-UHFFFAOYSA-N
XLogP1.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one (CID 137079387) is 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)(F)C(F)(F)F)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is GLZVYAYXGUJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF5N3O/c7-1-2(5(8,9)6(10,11)12)14-4(13)15-3(1)16/h(H3,13,14,15,16).
What are the key properties of 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 308.00 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137079387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).