N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide

C11H15F3N4O — CID 56917547

IUPACN-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-8(19)15-6-7-17-10-16-5-3-9(18-10)2-4-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyANICBIIQIHHUBN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 56917547) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID56917547
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-8(19)15-6-7-17-10-16-5-3-9(18-10)2-4-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyANICBIIQIHHUBN-UHFFFAOYSA-N
XLogP1.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.52
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-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide (CID 56917547) is N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is ANICBIIQIHHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-8(19)15-6-7-17-10-16-5-3-9(18-10)2-4-11(12,13)14/h3,5H,2,4,6-7H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 56917547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).