N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide

C15H17FN4O — CID 62649344

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17FN4O/c1-4-17-13-11(6-5-7-12(13)16)14(21)20-15-18-9(2)8-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyWLRLDJOEVAEYQY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.92
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide

N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62649344) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62649344
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17FN4O/c1-4-17-13-11(6-5-7-12(13)16)14(21)20-15-18-9(2)8-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyWLRLDJOEVAEYQY-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661409
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-ethyl-2,6-difluoroaniline
CID 23270171
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide (CID 62649344) is N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is WLRLDJOEVAEYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-4-17-13-11(6-5-7-12(13)16)14(21)20-15-18-9(2)8-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62649344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).