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

C4H4FN3O — CID 3366

💊View drug profile → flucytosine
IUPAC6-amino-5-fluoro-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKeyXRECTZIEBJDKEO-UHFFFAOYSA-N
MW129.09 g/mol
LogP-0.51
Rot. Bonds

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

6-amino-5-fluoro-1H-pyrimidin-2-one (PubChem CID 3366) has the molecular formula C4H4FN3O and a molecular weight of 129.09 g/mol. Its IUPAC name is 6-amino-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1H-pyrimidin-2-one
PubChem CID3366
Molecular FormulaC4H4FN3O
Molecular Weight129.09 g/mol
Exact Mass129.03
IUPAC Name6-amino-5-fluoro-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKeyXRECTZIEBJDKEO-UHFFFAOYSA-N
XLogP-0.51
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cytosine
CID 597
5-Methylcytosine
CID 65040
4,5-Diamino-1,2-dihydropyrimidin-2-one
CID 248637
5-Bromocytosine
CID 75233
6-Amino-5-iodo-2(1H)-pyrimidinone
CID 14281
5-Fluoro-6-(methylamino)pyrimidin-2(1H)-one
CID 352559
5-Chlorocytosine
CID 3083758
6-(~15~N)Amino(2,6-~13~C_2_,~15~N_2_)pyrimidin-2(1H)-one
CID 66995256
6-Amino(~15~N_2_)pyrimidin-2(1H)-one
CID 66995323
N(4)-Hydroxy-5-fluorocytosine
CID 167689
5-(Trifluoromethyl)-cytosine
CID 21919030
4-Fluoro-2-hydroxypyrimidine
CID 22172506

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-2-one (CID 3366) is 6-amino-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1F.
What is the InChIKey of 6-amino-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is XRECTZIEBJDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9).
What are the key properties of 6-amino-5-fluoro-1H-pyrimidin-2-one?
6-amino-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 129.09 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 3366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).