N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine

C17H26F3N5 — CID 171359772

IUPACN-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(C[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1)CC(F)(F)F
InChIInChI=1S/C17H26F3N5/c1-2-23(12-17(18,19)20)10-14-5-8-25(11-14)16-9-15(21-13-22-16)24-6-3-4-7-24/h9,13-14H,2-8,10-12H2,1H3/t14-/m1/s1
InChIKeySCKJYHWLIZLYDB-CQSZACIVSA-N
MW357.42 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 171359772) has the molecular formula C17H26F3N5 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID171359772
Molecular FormulaC17H26F3N5
Molecular Weight357.42 g/mol
Exact Mass357.21
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(C[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1)CC(F)(F)F
InChIInChI=1S/C17H26F3N5/c1-2-23(12-17(18,19)20)10-14-5-8-25(11-14)16-9-15(21-13-22-16)24-6-3-4-7-24/h9,13-14H,2-8,10-12H2,1H3/t14-/m1/s1
InChIKeySCKJYHWLIZLYDB-CQSZACIVSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 125135546
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
CID 115416875
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297
6-[(3R)-3-aminopiperidin-1-yl]-N,N-diethylpyrimidin-4-amine
CID 86318094
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431434
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 171359772) is N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine is CCN(C[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is SCKJYHWLIZLYDB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26F3N5/c1-2-23(12-17(18,19)20)10-14-5-8-25(11-14)16-9-15(21-13-22-16)24-6-3-4-7-24/h9,13-14H,2-8,10-12H2,1H3/t14-/m1/s1.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 357.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[[(3R)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 171359772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).