N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3N3O — CID 61490681

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nccc(CNCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-8-15-3-2-9(16-8)6-14-4-5-17-7-10(11,12)13/h2-3,14H,4-7H2,1H3
InChIKeyRSWRXCZKWIYCMG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.45
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61490681) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61490681
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1nccc(CNCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-8-15-3-2-9(16-8)6-14-4-5-17-7-10(11,12)13/h2-3,14H,4-7H2,1H3
InChIKeyRSWRXCZKWIYCMG-UHFFFAOYSA-N
XLogP1.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61490681) is N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1nccc(CNCCOCC(F)(F)F)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RSWRXCZKWIYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-8-15-3-2-9(16-8)6-14-4-5-17-7-10(11,12)13/h2-3,14H,4-7H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61490681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).