5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one

C5H5BrFN3O — CID 135546460

IUPAC5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5BrFN3O/c1-8-5-9-3(7)2(6)4(11)10-5/h1H3,(H2,8,9,10,11)
InChIKeyQUBDCOATPFXMMA-UHFFFAOYSA-N
MW222.02 g/mol
LogP0.71
Rot. Bonds1

About 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one

5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135546460) has the molecular formula C5H5BrFN3O and a molecular weight of 222.02 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135546460
Molecular FormulaC5H5BrFN3O
Molecular Weight222.02 g/mol
Exact Mass220.96
IUPAC Name5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H5BrFN3O/c1-8-5-9-3(7)2(6)4(11)10-5/h1H3,(H2,8,9,10,11)
InChIKeyQUBDCOATPFXMMA-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.02
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-bromo-6-fluoro-3-methylpyrimidin-4-one
CID 10176854
5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
CID 135546467
5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 66285353
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one
CID 142962736
5-Bromo-2-(methylamino)-3,4-dihydropyrimidin-4-one
CID 66315116
2-amino-5-bromo-4-(methylamino)-1H-pyrimidin-6-one
CID 135413096
5-bromo-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 136225145
5-Bromo-6-chloro-2-(methylamino)pyrimidin-4(3H)-one
CID 136743766
5-bromo-4-(methylamino)-1H-pyrimidin-6-one
CID 136955906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one (CID 135546460) is 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(F)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is QUBDCOATPFXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN3O/c1-8-5-9-3(7)2(6)4(11)10-5/h1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 222.02 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135546460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).