methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate

C11H16FN3O4 — CID 143827363

IUPACmethyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(=O)n(CCC(C)OC)cc1F
InChIInChI=1S/C11H16FN3O4/c1-7(18-2)4-5-15-6-8(12)9(13-10(15)16)14-11(17)19-3/h6-7H,4-5H2,1-3H3,(H,13,14,16,17)
InChIKeyWDIUWUWMZDNRAC-UHFFFAOYSA-N
MW273.26 g/mol
LogP0.99
Rot. Bonds5

About methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate

methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate (PubChem CID 143827363) has the molecular formula C11H16FN3O4 and a molecular weight of 273.26 g/mol. Its IUPAC name is methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate
PubChem CID143827363
Molecular FormulaC11H16FN3O4
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Namemethyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1nc(=O)n(CCC(C)OC)cc1F
InChIInChI=1S/C11H16FN3O4/c1-7(18-2)4-5-15-6-8(12)9(13-10(15)16)14-11(17)19-3/h6-7H,4-5H2,1-3H3,(H,13,14,16,17)
InChIKeyWDIUWUWMZDNRAC-UHFFFAOYSA-N
XLogP0.99
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(cyclopropylmethyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
CID 58166422
pentyl N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 70793655
pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 70834934
pentyl N-[5-fluoro-1-[(2R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 145504132
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
ethyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 143827395
pentyl N-[5-fluoro-1-[(5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 145504126
methyl N-[5-fluoro-1-(4-methoxypentan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 145521070
ethane;methyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 143827364
methyl N-[5-fluoro-1-(4-methoxypentan-2-yl)-2-oxopyrimidin-4-yl]carbamate;propane-2,2-diol
CID 145521069

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate (CID 143827363) is methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate is COC(=O)Nc1nc(=O)n(CCC(C)OC)cc1F.
What is the InChIKey of methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is WDIUWUWMZDNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4/c1-7(18-2)4-5-15-6-8(12)9(13-10(15)16)14-11(17)19-3/h6-7H,4-5H2,1-3H3,(H,13,14,16,17).
What are the key properties of methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate?
methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 273.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 143827363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).