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

C5H6FN3O — CID 135454089

IUPAC4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyKLYLSYMCPGBNPS-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.05
Rot. Bonds1

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

4-fluoro-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135454089) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135454089
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyKLYLSYMCPGBNPS-UHFFFAOYSA-N
XLogP-0.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one (CID 135454089) is 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is KLYLSYMCPGBNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one?
4-fluoro-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 143.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).