6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one

C4H5FN3O+ — CID 7164714

IUPAC6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one
SMILESNc1[nH]c(=O)[nH+]cc1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/p+1
InChIKeyXRECTZIEBJDKEO-UHFFFAOYSA-O
MW130.10 g/mol
LogP-1.09
Rot. Bonds

About 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one

6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one (PubChem CID 7164714) has the molecular formula C4H5FN3O+ and a molecular weight of 130.10 g/mol. Its IUPAC name is 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one
PubChem CID7164714
Molecular FormulaC4H5FN3O+
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one
SMILESNc1[nH]c(=O)[nH+]cc1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/p+1
InChIKeyXRECTZIEBJDKEO-UHFFFAOYSA-O
XLogP-1.09
TPSA73.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one?
The IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one (CID 7164714) is 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one?
The canonical SMILES for 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one is Nc1[nH]c(=O)[nH+]cc1F.
What is the InChIKey of 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one?
The InChIKey is XRECTZIEBJDKEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)/p+1.
What are the key properties of 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one?
6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one has a molecular weight of 130.10 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one is sourced from PubChem (CID 7164714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).