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

C5H6FN3O2 — CID 13065766

IUPAC5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
SMILESCONc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H6FN3O2/c1-11-9-4-3(6)2-7-5(10)8-4/h2H,1H3,(H2,7,8,9,10)
InChIKeyJYNNDWFTCWSQRM-UHFFFAOYSA-N
MW159.12 g/mol
LogP-0.12
Rot. Bonds2

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

5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one (PubChem CID 13065766) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
PubChem CID13065766
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
SMILESCONc1[nH]c(=O)ncc1F
InChIInChI=1S/C5H6FN3O2/c1-11-9-4-3(6)2-7-5(10)8-4/h2H,1H3,(H2,7,8,9,10)
InChIKeyJYNNDWFTCWSQRM-UHFFFAOYSA-N
XLogP-0.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one (CID 13065766) is 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one is CONc1[nH]c(=O)ncc1F.
What is the InChIKey of 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one?
The InChIKey is JYNNDWFTCWSQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c1-11-9-4-3(6)2-7-5(10)8-4/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one?
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one has a molecular weight of 159.12 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 13065766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).