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

C10H7BrFN3O — CID 135444024

IUPAC2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(F)cc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-1-3-6(12)4-2-5/h1-4H,(H3,13,14,15,16)
InChIKeyFFHKBAKFBGNHID-UHFFFAOYSA-N
MW284.09 g/mol
LogP1.92
Rot. Bonds1

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

2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135444024) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID135444024
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(F)cc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-1-3-6(12)4-2-5/h1-4H,(H3,13,14,15,16)
InChIKeyFFHKBAKFBGNHID-UHFFFAOYSA-N
XLogP1.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one (CID 135444024) is 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one is Nc1nc(-c2ccc(F)cc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is FFHKBAKFBGNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c11-7-8(14-10(13)15-9(7)16)5-1-3-6(12)4-2-5/h1-4H,(H3,13,14,15,16).
What are the key properties of 2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 284.09 g/mol, XLogP of 1.92, 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-(4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135444024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).