2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one

C4H6FN3O — CID 178186153

IUPAC2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NC(F)CC(=O)N1
InChIInChI=1S/C4H6FN3O/c5-2-1-3(9)8-4(6)7-2/h2H,1H2,(H3,6,7,8,9)
InChIKeyPGALIVRDVZOTMI-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.88
Rot. Bonds

About 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 178186153) has the molecular formula C4H6FN3O and a molecular weight of 131.11 g/mol. Its IUPAC name is 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID178186153
Molecular FormulaC4H6FN3O
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NC(F)CC(=O)N1
InChIInChI=1S/C4H6FN3O/c5-2-1-3(9)8-4(6)7-2/h2H,1H2,(H3,6,7,8,9)
InChIKeyPGALIVRDVZOTMI-UHFFFAOYSA-N
XLogP-0.88
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one (CID 178186153) is 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one is NC1=NC(F)CC(=O)N1.
What is the InChIKey of 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is PGALIVRDVZOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O/c5-2-1-3(9)8-4(6)7-2/h2H,1H2,(H3,6,7,8,9).
What are the key properties of 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 131.11 g/mol, XLogP of -0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 178186153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).