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

C9H12FN3O3S — CID 58166427

IUPACethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(CSC)cc1F
InChIInChI=1S/C9H12FN3O3S/c1-3-16-9(15)12-7-6(10)4-13(5-17-2)8(14)11-7/h4H,3,5H2,1-2H3,(H,11,12,14,15)
InChIKeyYDDKRYGPPWKZJW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.27
Rot. Bonds4

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

ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate (PubChem CID 58166427) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate
PubChem CID58166427
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Nameethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(CSC)cc1F
InChIInChI=1S/C9H12FN3O3S/c1-3-16-9(15)12-7-6(10)4-13(5-17-2)8(14)11-7/h4H,3,5H2,1-2H3,(H,11,12,14,15)
InChIKeyYDDKRYGPPWKZJW-UHFFFAOYSA-N
XLogP1.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate (CID 58166427) is ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate is CCOC(=O)Nc1nc(=O)n(CSC)cc1F.
What is the InChIKey of ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is YDDKRYGPPWKZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-3-16-9(15)12-7-6(10)4-13(5-17-2)8(14)11-7/h4H,3,5H2,1-2H3,(H,11,12,14,15).
What are the key properties of ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate?
ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 261.28 g/mol, XLogP of 1.27, 4 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-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 58166427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).