N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C24H24F3N5O — CID 122287655

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C24H24F3N5O/c1-16-14-21(32-12-2-3-13-32)31-23(28-16)30-20-10-8-19(9-11-20)29-22(33)15-17-4-6-18(7-5-17)24(25,26)27/h4-11,14H,2-3,12-13,15H2,1H3,(H,29,33)(H,28,30,31)
InChIKeyIJFNUQXOHYEPBH-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.33
Rot. Bonds6

About N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122287655) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID122287655
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C24H24F3N5O/c1-16-14-21(32-12-2-3-13-32)31-23(28-16)30-20-10-8-19(9-11-20)29-22(33)15-17-4-6-18(7-5-17)24(25,26)27/h4-11,14H,2-3,12-13,15H2,1H3,(H,29,33)(H,28,30,31)
InChIKeyIJFNUQXOHYEPBH-UHFFFAOYSA-N
XLogP5.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122287908
2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 56922137
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122294987
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287923
4-(dimethylamino)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287578
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 122287655) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IJFNUQXOHYEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-16-14-21(32-12-2-3-13-32)31-23(28-16)30-20-10-8-19(9-11-20)29-22(33)15-17-4-6-18(7-5-17)24(25,26)27/h4-11,14H,2-3,12-13,15H2,1H3,(H,29,33)(H,28,30,31).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 455.48 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122287655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).