actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide

C9H11AcFN3O3- — CID 59893465

IUPACactinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide
SMILESCC[C@H]1OCC(n2cc(F)c([NH-])nc2=O)O1.[Ac]
InChIInChI=1S/C9H12FN3O3.Ac/c1-2-7-15-4-6(16-7)13-3-5(10)8(11)12-9(13)14;/h3,6-7H,2,4H2,1H3,(H2,11,12,14);/p-1/t6?,7-;/m0./s1
InChIKeyOEJFWJVCKOUGTJ-JWOPXBRZSA-M
MW455.20 g/mol
LogP1.35
Rot. Bonds2

About actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide

actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide (PubChem CID 59893465) has the molecular formula C9H11AcFN3O3- and a molecular weight of 455.20 g/mol. Its IUPAC name is actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide
PubChem CID59893465
Molecular FormulaC9H11AcFN3O3-
Molecular Weight455.20 g/mol
Exact Mass455.11
IUPAC Nameactinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide
SMILESCC[C@H]1OCC(n2cc(F)c([NH-])nc2=O)O1.[Ac]
InChIInChI=1S/C9H12FN3O3.Ac/c1-2-7-15-4-6(16-7)13-3-5(10)8(11)12-9(13)14;/h3,6-7H,2,4H2,1H3,(H2,11,12,14);/p-1/t6?,7-;/m0./s1
InChIKeyOEJFWJVCKOUGTJ-JWOPXBRZSA-M
XLogP1.35
TPSA77.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide
CID 10172163
N-[5-fluoro-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 20803014
4-amino-1-[(1R,3R,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidin-2-one
CID 161321832
1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 90904264
[4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-amino-3-methylbutanoate
CID 59035728
[(4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 158417076
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 22858382
4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 10236293
4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 54543288
(2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium
CID 148513862
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
CID 164882274

Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide?
The IUPAC name of actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide (CID 59893465) is actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide.
What is the SMILES notation for actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide?
The canonical SMILES for actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide is CC[C@H]1OCC(n2cc(F)c([NH-])nc2=O)O1.[Ac].
What is the InChIKey of actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide?
The InChIKey is OEJFWJVCKOUGTJ-JWOPXBRZSA-M. The full InChI is InChI=1S/C9H12FN3O3.Ac/c1-2-7-15-4-6(16-7)13-3-5(10)8(11)12-9(13)14;/h3,6-7H,2,4H2,1H3,(H2,11,12,14);/p-1/t6?,7-;/m0./s1.
What are the key properties of actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide?
actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide has a molecular weight of 455.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[(2S)-2-ethyl-1,3-dioxolan-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]azanide is sourced from PubChem (CID 59893465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).