6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

C19H23Cl2N5 — CID 138466405

IUPAC6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(CN)CC2CN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)C[C@@H]2C1
InChIInChI=1S/C19H23Cl2N5/c1-19(10-22)5-11-8-26(9-12(11)6-19)15-7-24-17(18(23)25-15)13-3-2-4-14(20)16(13)21/h2-4,7,11-12H,5-6,8-10,22H2,1H3,(H2,23,25)/t11-,12?,19?/m0/s1
InChIKeyRSCCVBLUIDDQGC-UHOVJUMYSA-N
MW392.33 g/mol
LogP3.84
Rot. Bonds3

About 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 138466405) has the molecular formula C19H23Cl2N5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID138466405
Molecular FormulaC19H23Cl2N5
Molecular Weight392.33 g/mol
Exact Mass391.13
IUPAC Name6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(CN)CC2CN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)C[C@@H]2C1
InChIInChI=1S/C19H23Cl2N5/c1-19(10-22)5-11-8-26(9-12(11)6-19)15-7-24-17(18(23)25-15)13-3-2-4-14(20)16(13)21/h2-4,7,11-12H,5-6,8-10,22H2,1H3,(H2,23,25)/t11-,12?,19?/m0/s1
InChIKeyRSCCVBLUIDDQGC-UHOVJUMYSA-N
XLogP3.84
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine with MolForge

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Related Compounds

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
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
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
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
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
(1R,2S)-6-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-6-azatricyclo[3.3.0.01,4]octan-2-amine
CID 135294431
[1-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]-3-methylazetidin-3-yl]azanium
CID 147973529

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 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) is 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is CC1(CN)CC2CN(c3cnc(-c4cccc(Cl)c4Cl)c(N)n3)C[C@@H]2C1.
What is the InChIKey of 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is RSCCVBLUIDDQGC-UHOVJUMYSA-N. The full InChI is InChI=1S/C19H23Cl2N5/c1-19(10-22)5-11-8-26(9-12(11)6-19)15-7-24-17(18(23)25-15)13-3-2-4-14(20)16(13)21/h2-4,7,11-12H,5-6,8-10,22H2,1H3,(H2,23,25)/t11-,12?,19?/m0/s1.
What are the key properties of 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 392.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR)-5-(aminomethyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 138466405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).