N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide

C7H8F2N4O — CID 154351242

IUPACN-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(F)nc(F)n1
InChIInChI=1S/C7H8F2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3
InChIKeyOYBGAZDFWUICSP-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.52
Rot. Bonds2

About N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide

N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide (PubChem CID 154351242) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide
PubChem CID154351242
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC NameN-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(F)nc(F)n1
InChIInChI=1S/C7H8F2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3
InChIKeyOYBGAZDFWUICSP-UHFFFAOYSA-N
XLogP0.52
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[acetyl(ethyl)amino]-6-fluoro-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 154122294
N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide
CID 154379229
N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 19987
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N-methylacetamide
CID 53985951
N-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 151824666
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide
CID 154099281
N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 154122895
N-[4-[acetyl(ethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 154128339
N-ethyl-N-(1,3,5-triazin-2-yl)acetamide
CID 154199126
N-[4-[acetyl(ethyl)amino]-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 172725221
N-[4,6-bis[acetyl(ethyl)amino]-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 172799618

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The IUPAC name of N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide (CID 154351242) is N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The canonical SMILES for N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide is CCN(C(C)=O)c1nc(F)nc(F)n1.
What is the InChIKey of N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide?
The InChIKey is OYBGAZDFWUICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c1-3-13(4(2)14)7-11-5(8)10-6(9)12-7/h3H2,1-2H3.
What are the key properties of N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide?
N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide has a molecular weight of 202.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3,5-triazin-2-yl)-N-ethylacetamide is sourced from PubChem (CID 154351242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).