methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate

C8H10FN3O3 — CID 704811

IUPACmethyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-15-6(13)2-3-12-4-5(9)7(10)11-8(12)14/h4H,2-3H2,1H3,(H2,10,11,14)
InChIKeyXEHYZCIJESBTCO-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.47
Rot. Bonds3

About methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate

methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate (PubChem CID 704811) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate
PubChem CID704811
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Namemethyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-15-6(13)2-3-12-4-5(9)7(10)11-8(12)14/h4H,2-3H2,1H3,(H2,10,11,14)
InChIKeyXEHYZCIJESBTCO-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

3-(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)propanoic acid
CID 11117081
Ethyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate
CID 12151788
(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)methyl butanoate
CID 58166399
(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate
CID 58166456

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate (CID 704811) is methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate is COC(=O)CCn1cc(F)c(N)nc1=O.
What is the InChIKey of methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate?
The InChIKey is XEHYZCIJESBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-15-6(13)2-3-12-4-5(9)7(10)11-8(12)14/h4H,2-3H2,1H3,(H2,10,11,14).
What are the key properties of methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate?
methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate 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 methyl 3-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 704811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).