4-amino-5-fluoro-5H-pyrimidin-2-one

C4H4FN3O — CID 24870984

IUPAC4-amino-5-fluoro-5H-pyrimidin-2-one
SMILESNC1=NC(=O)N=CC1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1-2H,(H2,6,8,9)
InChIKeyKXZWTXSSTDYZED-UHFFFAOYSA-N
MW129.09 g/mol
LogP-0.11
Rot. Bonds

About 4-amino-5-fluoro-5H-pyrimidin-2-one

4-amino-5-fluoro-5H-pyrimidin-2-one (PubChem CID 24870984) has the molecular formula C4H4FN3O and a molecular weight of 129.09 g/mol. Its IUPAC name is 4-amino-5-fluoro-5H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-5H-pyrimidin-2-one
PubChem CID24870984
Molecular FormulaC4H4FN3O
Molecular Weight129.09 g/mol
Exact Mass129.03
IUPAC Name4-amino-5-fluoro-5H-pyrimidin-2-one
SMILESNC1=NC(=O)N=CC1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1-2H,(H2,6,8,9)
InChIKeyKXZWTXSSTDYZED-UHFFFAOYSA-N
XLogP-0.11
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-5H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-5H-pyrimidin-2-one (CID 24870984) is 4-amino-5-fluoro-5H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-5H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-5H-pyrimidin-2-one is NC1=NC(=O)N=CC1F.
What is the InChIKey of 4-amino-5-fluoro-5H-pyrimidin-2-one?
The InChIKey is KXZWTXSSTDYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1-2H,(H2,6,8,9).
What are the key properties of 4-amino-5-fluoro-5H-pyrimidin-2-one?
4-amino-5-fluoro-5H-pyrimidin-2-one has a molecular weight of 129.09 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-5H-pyrimidin-2-one is sourced from PubChem (CID 24870984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).