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

C15H15F3N4O — CID 3235375

IUPACN-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C15H15F3N4O/c1-10(23)19-6-7-20-14-8-13(21-9-22-14)11-4-2-3-5-12(11)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyBVEWSYYMWMJCFX-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 3235375) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID3235375
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C15H15F3N4O/c1-10(23)19-6-7-20-14-8-13(21-9-22-14)11-4-2-3-5-12(11)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyBVEWSYYMWMJCFX-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide (CID 3235375) is N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(-c2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is BVEWSYYMWMJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-10(23)19-6-7-20-14-8-13(21-9-22-14)11-4-2-3-5-12(11)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 324.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3235375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).