3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine

C14H23FN4O — CID 58583357

IUPAC3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCCc1cnc(CC)c(N[C@@H]2CNC[C@@H]2OCCF)n1
InChIInChI=1S/C14H23FN4O/c1-3-10-7-17-11(4-2)14(18-10)19-12-8-16-9-13(12)20-6-5-15/h7,12-13,16H,3-6,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyAYFACUQMMBXUQR-OLZOCXBDSA-N
MW282.36 g/mol
LogP1.34
Rot. Bonds7

About 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine

3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 58583357) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID58583357
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
SMILESCCc1cnc(CC)c(N[C@@H]2CNC[C@@H]2OCCF)n1
InChIInChI=1S/C14H23FN4O/c1-3-10-7-17-11(4-2)14(18-10)19-12-8-16-9-13(12)20-6-5-15/h7,12-13,16H,3-6,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyAYFACUQMMBXUQR-OLZOCXBDSA-N
XLogP1.34
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl(3R,4S)-3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylate
CID 58583295
6-(2,3-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
CID 70919760
(3R,4S)-3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)-2-methylpyrrolidine-1-carboxylic acid
CID 87940241
3,6-diethyl-N-[(3R,4R)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine
CID 87940409
(3R,4S)-3-[(3,6-diethylpyrazin-2-yl)amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
CID 87941002
2-[2-(Ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 170259322
5-(difluoromethyl)-N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]pyrazin-2-amine;hydrochloride
CID 176181633
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181650
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181754
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 176181755
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-3-methyl-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181785
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176205672

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine (CID 58583357) is 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine is CCc1cnc(CC)c(N[C@@H]2CNC[C@@H]2OCCF)n1.
What is the InChIKey of 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is AYFACUQMMBXUQR-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-3-10-7-17-11(4-2)14(18-10)19-12-8-16-9-13(12)20-6-5-15/h7,12-13,16H,3-6,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine?
3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 282.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-N-[(3R,4S)-4-(2-fluoroethoxy)pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 58583357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).