6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

C17H21Cl2N5 — CID 126480959

IUPAC6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESC[C@]1(CCN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C1
InChIInChI=1S/C17H21Cl2N5/c1-17(5-7-20)6-8-24(10-17)13-9-22-15(16(21)23-13)11-3-2-4-12(18)14(11)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)/t17-/m0/s1
InChIKeyQDVLWTFMMSCNOC-KRWDZBQOSA-N
MW366.30 g/mol
LogP3.60
Rot. Bonds4

About 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 126480959) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID126480959
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESC[C@]1(CCN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C1
InChIInChI=1S/C17H21Cl2N5/c1-17(5-7-20)6-8-24(10-17)13-9-22-15(16(21)23-13)11-3-2-4-12(18)14(11)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)/t17-/m0/s1
InChIKeyQDVLWTFMMSCNOC-KRWDZBQOSA-N
XLogP3.60
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 138466405
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470
8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-1,1-dioxo-1λ6-thia-8-azaspiro[4.5]decan-4-amine
CID 118247736
6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 167432571
3-(2,3-dichlorophenyl)-6-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-amine;methane
CID 142543281
[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
CID 147973529
3-bromo-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine;3-(2,3-dichlorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrazin-2-amine
CID 157262934
(1R,2S)-6-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-6-azatricyclo[3.3.0.01,4]octan-2-amine
CID 135294431

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 126480959) is 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is C[C@]1(CCN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C1.
What is the InChIKey of 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is QDVLWTFMMSCNOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c1-17(5-7-20)6-8-24(10-17)13-9-22-15(16(21)23-13)11-3-2-4-12(18)14(11)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)/t17-/m0/s1.
What are the key properties of 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 366.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 126480959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).