ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate

C12H16FN3O4 — CID 143827395

IUPACethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C12H16FN3O4/c1-3-19-12(18)15-10-8(13)6-16(11(17)14-10)9-5-4-7(2)20-9/h6-7,9H,3-5H2,1-2H3,(H,14,15,17,18)
InChIKeyLNGCZFKZDGNQAE-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.65
Rot. Bonds3

About ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate

ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (PubChem CID 143827395) has the molecular formula C12H16FN3O4 and a molecular weight of 285.28 g/mol. Its IUPAC name is ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
PubChem CID143827395
Molecular FormulaC12H16FN3O4
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Nameethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C12H16FN3O4/c1-3-19-12(18)15-10-8(13)6-16(11(17)14-10)9-5-4-7(2)20-9/h6-7,9H,3-5H2,1-2H3,(H,14,15,17,18)
InChIKeyLNGCZFKZDGNQAE-UHFFFAOYSA-N
XLogP1.65
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (CID 143827395) is ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is CCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F.
What is the InChIKey of ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is LNGCZFKZDGNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-3-19-12(18)15-10-8(13)6-16(11(17)14-10)9-5-4-7(2)20-9/h6-7,9H,3-5H2,1-2H3,(H,14,15,17,18).
What are the key properties of ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 285.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 143827395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).