ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate

C13H20FN3O4 — CID 143827364

IUPACethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCC.COC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C11H14FN3O4.C2H6/c1-6-3-4-8(19-6)15-5-7(12)9(13-10(15)16)14-11(17)18-2;1-2/h5-6,8H,3-4H2,1-2H3,(H,13,14,16,17);1-2H3
InChIKeyOGLFPOAUHYFGAK-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.28
Rot. Bonds2

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

ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (PubChem CID 143827364) has the molecular formula C13H20FN3O4 and a molecular weight of 301.32 g/mol. Its IUPAC name is ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
PubChem CID143827364
Molecular FormulaC13H20FN3O4
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Nameethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCC.COC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C11H14FN3O4.C2H6/c1-6-3-4-8(19-6)15-5-7(12)9(13-10(15)16)14-11(17)18-2;1-2/h5-6,8H,3-4H2,1-2H3,(H,13,14,16,17);1-2H3
InChIKeyOGLFPOAUHYFGAK-UHFFFAOYSA-N
XLogP2.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (CID 143827364) is ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is CC.COC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F.
What is the InChIKey of ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is OGLFPOAUHYFGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4.C2H6/c1-6-3-4-8(19-6)15-5-7(12)9(13-10(15)16)14-11(17)18-2;1-2/h5-6,8H,3-4H2,1-2H3,(H,13,14,16,17);1-2H3.
What are the key properties of ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 301.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 143827364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).