2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine

C11H16F3N3O — CID 79964257

IUPAC2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-7-6-15-8-9-3-5-16-10(17-9)2-4-11(12,13)14/h3,5,15H,2,4,6-8H2,1H3
InChIKeyKSUCXNRLYSIUGF-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.71
Rot. Bonds7

About 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 79964257) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID79964257
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-7-6-15-8-9-3-5-16-10(17-9)2-4-11(12,13)14/h3,5,15H,2,4,6-8H2,1H3
InChIKeyKSUCXNRLYSIUGF-UHFFFAOYSA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.71
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 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine (CID 79964257) is 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1ccnc(CCC(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is KSUCXNRLYSIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-18-7-6-15-8-9-3-5-16-10(17-9)2-4-11(12,13)14/h3,5,15H,2,4,6-8H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 79964257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).