2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C24H24F3N5O — CID 73054869

IUPAC2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O/c25-24(26,27)20-14-30-23(31-19-8-5-16(6-9-19)18-12-29-13-18)32-21(20)10-7-15-3-1-2-4-17(15)11-22(28)33/h1-6,8-9,14,18,29H,7,10-13H2,(H2,28,33)(H,30,31,32)
InChIKeyHDFCPVIDDQRCPP-UHFFFAOYSA-N
MW455.48 g/mol
LogP3.74
Rot. Bonds8

About 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 73054869) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID73054869
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O/c25-24(26,27)20-14-30-23(31-19-8-5-16(6-9-19)18-12-29-13-18)32-21(20)10-7-15-3-1-2-4-17(15)11-22(28)33/h1-6,8-9,14,18,29H,7,10-13H2,(H2,28,33)(H,30,31,32)
InChIKeyHDFCPVIDDQRCPP-UHFFFAOYSA-N
XLogP3.74
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(2-aminoprop-2-enyl)phenyl]ethyl]-N-(4-piperidin-4-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 135292954
3-[4-[[4-[2-[2-(2-methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]azetidine-1-carboxylic acid
CID 90007906
tert-butyl 2-[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
CID 71229344
ethane;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide
CID 144572148
CID 90049683
CID 90049683
ethane;2-[2-[2-[2-[[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 144903522
2-[2-[2-[2-[[1-(1-acetylpiperidin-3-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 118325444
2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 157250754
tert-butyl 4-[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-ethylphenyl]piperidine-1-carboxylate
CID 71232246
2-[2-[2-[2-[[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 118325495
[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-methylpyrimidin-2-yl]amino]phenyl]methylcarbamic acid
CID 90007862
2-[2-[2-[2-[[1-[1-(2-methyliminoethyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 123888967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 73054869) is 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is HDFCPVIDDQRCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c25-24(26,27)20-14-30-23(31-19-8-5-16(6-9-19)18-12-29-13-18)32-21(20)10-7-15-3-1-2-4-17(15)11-22(28)33/h1-6,8-9,14,18,29H,7,10-13H2,(H2,28,33)(H,30,31,32).
What are the key properties of 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 455.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-(azetidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 73054869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).