N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

C6H6FN3O2 — CID 91218030

IUPACN-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)N(F)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-4(11)10(7)5-2-3-8-6(12)9-5/h2-3H,1H3,(H,8,9,12)
InChIKeyMSXJKBIKUOVXSZ-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.01
Rot. Bonds1

About N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 91218030) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
PubChem CID91218030
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC NameN-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(=O)N(F)c1ccnc(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-4(11)10(7)5-2-3-8-6(12)9-5/h2-3H,1H3,(H,8,9,12)
InChIKeyMSXJKBIKUOVXSZ-UHFFFAOYSA-N
XLogP0.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.01
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 N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (CID 91218030) is N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is CC(=O)N(F)c1ccnc(=O)[nH]1.
What is the InChIKey of N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is MSXJKBIKUOVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c1-4(11)10(7)5-2-3-8-6(12)9-5/h2-3H,1H3,(H,8,9,12).
What are the key properties of N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 171.13 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 91218030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).