N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide

C15H16FN3O3S — CID 66973825

IUPACN-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Sc2c(OC)nc(F)nc2OC)c1
InChIInChI=1S/C15H16FN3O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyQKGXRVNIPIFGFS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds6

About N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide

N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide (PubChem CID 66973825) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
PubChem CID66973825
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(Sc2c(OC)nc(F)nc2OC)c1
InChIInChI=1S/C15H16FN3O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyQKGXRVNIPIFGFS-UHFFFAOYSA-N
XLogP3.13
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The IUPAC name of N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide (CID 66973825) is N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide.
What is the SMILES notation for N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The canonical SMILES for N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide is CCC(=O)Nc1cccc(Sc2c(OC)nc(F)nc2OC)c1.
What is the InChIKey of N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
The InChIKey is QKGXRVNIPIFGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-4-11(20)17-9-6-5-7-10(8-9)23-12-13(21-2)18-15(16)19-14(12)22-3/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide?
N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4,6-dimethoxypyrimidin-5-yl)sulfanylphenyl]propanamide is sourced from PubChem (CID 66973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).