N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

C15H23F3N4 — CID 125135546

IUPACN-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(C[C@H]1CCN(c2nc(C)cc(C)n2)C1)CC(F)(F)F
InChIInChI=1S/C15H23F3N4/c1-4-21(10-15(16,17)18)8-13-5-6-22(9-13)14-19-11(2)7-12(3)20-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJNJUFWJMISUYON-CYBMUJFWSA-N
MW316.37 g/mol
LogP2.80
Rot. Bonds5

About N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 125135546) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID125135546
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC NameN-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(C[C@H]1CCN(c2nc(C)cc(C)n2)C1)CC(F)(F)F
InChIInChI=1S/C15H23F3N4/c1-4-21(10-15(16,17)18)8-13-5-6-22(9-13)14-19-11(2)7-12(3)20-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJNJUFWJMISUYON-CYBMUJFWSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 125135546) is N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(C[C@H]1CCN(c2nc(C)cc(C)n2)C1)CC(F)(F)F.
What is the InChIKey of N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is JNJUFWJMISUYON-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23F3N4/c1-4-21(10-15(16,17)18)8-13-5-6-22(9-13)14-19-11(2)7-12(3)20-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 316.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 125135546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).