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

C4H3F2N3O — CID 13166057

IUPAC6-(difluoroamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(N(F)F)[nH]1
InChIInChI=1S/C4H3F2N3O/c5-9(6)3-1-2-7-4(10)8-3/h1-2H,(H,7,8,10)
InChIKeyPDGBZMKQGKSBER-UHFFFAOYSA-N
MW147.08 g/mol
LogP0.35
Rot. Bonds1

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

6-(difluoroamino)-1H-pyrimidin-2-one (PubChem CID 13166057) has the molecular formula C4H3F2N3O and a molecular weight of 147.08 g/mol. Its IUPAC name is 6-(difluoroamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(difluoroamino)-1H-pyrimidin-2-one
PubChem CID13166057
Molecular FormulaC4H3F2N3O
Molecular Weight147.08 g/mol
Exact Mass147.02
IUPAC Name6-(difluoroamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(N(F)F)[nH]1
InChIInChI=1S/C4H3F2N3O/c5-9(6)3-1-2-7-4(10)8-3/h1-2H,(H,7,8,10)
InChIKeyPDGBZMKQGKSBER-UHFFFAOYSA-N
XLogP0.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.08
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoroamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(difluoroamino)-1H-pyrimidin-2-one (CID 13166057) is 6-(difluoroamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(difluoroamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(difluoroamino)-1H-pyrimidin-2-one is O=c1nccc(N(F)F)[nH]1.
What is the InChIKey of 6-(difluoroamino)-1H-pyrimidin-2-one?
The InChIKey is PDGBZMKQGKSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3O/c5-9(6)3-1-2-7-4(10)8-3/h1-2H,(H,7,8,10).
What are the key properties of 6-(difluoroamino)-1H-pyrimidin-2-one?
6-(difluoroamino)-1H-pyrimidin-2-one has a molecular weight of 147.08 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoroamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 13166057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).