6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one

C4H2F3N3O — CID 13166058

IUPAC6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N(F)F)[nH]1
InChIInChI=1S/C4H2F3N3O/c5-2-1-8-4(11)9-3(2)10(6)7/h1H,(H,8,9,11)
InChIKeyMIAIQMSLRMHCKU-UHFFFAOYSA-N
MW165.07 g/mol
LogP0.48
Rot. Bonds1

About 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one

6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 13166058) has the molecular formula C4H2F3N3O and a molecular weight of 165.07 g/mol. Its IUPAC name is 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
PubChem CID13166058
Molecular FormulaC4H2F3N3O
Molecular Weight165.07 g/mol
Exact Mass165.01
IUPAC Name6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N(F)F)[nH]1
InChIInChI=1S/C4H2F3N3O/c5-2-1-8-4(11)9-3(2)10(6)7/h1H,(H,8,9,11)
InChIKeyMIAIQMSLRMHCKU-UHFFFAOYSA-N
XLogP0.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Flucytosine
CID 3366
5-(Trifluoromethyl)-cytosine
CID 21919030
5-Fluoro-cytosine monohydrate
CID 129660715
6-Chloro-5-fluoropyrimidin-2(1H)-one
CID 13061624
6-(Difluoroamino)-2(1H)-pyrimidinone
CID 13166057
5,6-difluoro-1H-pyrimidin-2-one
CID 18970290
6-Amino-5-(fluoromethyl)pyrimidin-2(1H)-one
CID 22172510
6-azido-5-fluoro-1H-pyrimidin-2-one
CID 22316397
6-Amino-5-(difluoromethyl)pyrimidin-2(1H)-one
CID 23158405
5-chloro-6-fluoro-1H-pyrimidin-2-one
CID 131072979
6-Amino-5-fluoro-1-sulfanylpyrimidin-2-one
CID 141183904
6-Amino-5-chloro-1-fluoropyrimidin-2-one
CID 141535054

Frequently Asked Questions

What is the IUPAC name of 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one (CID 13166058) is 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(N(F)F)[nH]1.
What is the InChIKey of 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is MIAIQMSLRMHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3O/c5-2-1-8-4(11)9-3(2)10(6)7/h1H,(H,8,9,11).
What are the key properties of 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one?
6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 165.07 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 13166058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).