N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide

C21H20F3N5O — CID 18566628

IUPACN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C21H20F3N5O/c1-3-25-18-12-13(2)26-20(29-18)28-15-10-8-14(9-11-15)27-19(30)16-6-4-5-7-17(16)21(22,23)24/h4-12H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)
InChIKeyIIZXODRAIINQCR-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.23
Rot. Bonds6

About N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide

N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 18566628) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID18566628
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C21H20F3N5O/c1-3-25-18-12-13(2)26-20(29-18)28-15-10-8-14(9-11-15)27-19(30)16-6-4-5-7-17(16)21(22,23)24/h4-12H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29)
InChIKeyIIZXODRAIINQCR-UHFFFAOYSA-N
XLogP5.23
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide 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-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 18566630
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
CID 121032203
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methoxybenzamide;2-methoxybenzamide
CID 154995677
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 121032196
2-iodo-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090495
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122325657
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
CID 122325626
2-(difluoromethylsulfonyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122296136

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide (CID 18566628) is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide is CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IIZXODRAIINQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-3-25-18-12-13(2)26-20(29-18)28-15-10-8-14(9-11-15)27-19(30)16-6-4-5-7-17(16)21(22,23)24/h4-12H,3H2,1-2H3,(H,27,30)(H2,25,26,28,29).
What are the key properties of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 415.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 18566628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).