2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

C18H19F3N4O — CID 90111967

IUPAC2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-10-16(25-17(24-14)12-3-1-2-4-12)23-13-7-5-11(6-8-13)9-15(22)26/h5-8,10,12H,1-4,9H2,(H2,22,26)(H,23,24,25)
InChIKeyHSPYSFLSKDSQCJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.92
Rot. Bonds5

About 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 90111967) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID90111967
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-10-16(25-17(24-14)12-3-1-2-4-12)23-13-7-5-11(6-8-13)9-15(22)26/h5-8,10,12H,1-4,9H2,(H2,22,26)(H,23,24,25)
InChIKeyHSPYSFLSKDSQCJ-UHFFFAOYSA-N
XLogP3.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 90111967) is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is HSPYSFLSKDSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)14-10-16(25-17(24-14)12-3-1-2-4-12)23-13-7-5-11(6-8-13)9-15(22)26/h5-8,10,12H,1-4,9H2,(H2,22,26)(H,23,24,25).
What are the key properties of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 90111967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).