ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate

C8H10FN3O3 — CID 59336109

IUPACethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14)
InChIKeyXRSCUDGSZMHVSR-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.47
Rot. Bonds3

About ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate

ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate (PubChem CID 59336109) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate
PubChem CID59336109
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Nameethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14)
InChIKeyXRSCUDGSZMHVSR-UHFFFAOYSA-N
XLogP-0.47
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
CID 53910024
Ethyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate
CID 12151788
1-Ethoxycarbonylmethyl-5-fluoropyrimid-2-one
CID 20494297
Ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate
CID 58138356
Ethyl 2-[4-(dimethylaminomethylideneamino)-5-fluoro-2-oxopyrimidin-1-yl]acetate
CID 58166401
Ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-ethoxyacetate
CID 58166409
4-Amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
CID 58166475
Ethyl 2-(4-amino-5-iodo-2-oxopyrimidin-1-yl)acetate
CID 118404507
Ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
CID 123344328
Ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
CID 144939649
Ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
CID 144939658
Ethyl 2-(3-ethenyl-4-methylimino-2-oxopyrimidin-1-yl)acetate
CID 145329635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate (CID 59336109) is ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cc(F)c(N)nc1=O.
What is the InChIKey of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate?
The InChIKey is XRSCUDGSZMHVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-2-15-6(13)4-12-3-5(9)7(10)11-8(12)14/h3H,2,4H2,1H3,(H2,10,11,14).
What are the key properties of ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate?
ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate has a molecular weight of 215.18 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 59336109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).