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

C26H35BrCl2N10 — CID 157262934

IUPAC3-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
SMILESC[C@@H]1CN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H](C)N1.C[C@@H]1CN(c2cnc(Br)c(N)n2)C[C@H](C)N1
InChIInChI=1S/C16H19Cl2N5.C10H16BrN5/c1-9-7-23(8-10(2)21-9)13-6-20-15(16(19)22-13)11-4-3-5-12(17)14(11)18;1-6-4-16(5-7(2)14-6)8-3-13-9(11)10(12)15-8/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22);3,6-7,14H,4-5H2,1-2H3,(H2,12,15)/t9-,10+;6-,7+
InChIKeyAXRCDPOSXLAHBS-LOLLVERESA-N
MW638.45 g/mol
LogP4.23
Rot. Bonds3

About 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

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 (PubChem CID 157262934) has the molecular formula C26H35BrCl2N10 and a molecular weight of 638.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157262934
Molecular FormulaC26H35BrCl2N10
Molecular Weight638.45 g/mol
Exact Mass636.16
IUPAC Name3-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
SMILESC[C@@H]1CN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H](C)N1.C[C@@H]1CN(c2cnc(Br)c(N)n2)C[C@H](C)N1
InChIInChI=1S/C16H19Cl2N5.C10H16BrN5/c1-9-7-23(8-10(2)21-9)13-6-20-15(16(19)22-13)11-4-3-5-12(17)14(11)18;1-6-4-16(5-7(2)14-6)8-3-13-9(11)10(12)15-8/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22);3,6-7,14H,4-5H2,1-2H3,(H2,12,15)/t9-,10+;6-,7+
InChIKeyAXRCDPOSXLAHBS-LOLLVERESA-N
XLogP4.23
TPSA134.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.45
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118238298
1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 46906624
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379
US10093646, Example 8
CID 118249463
US10093646, Example 9
CID 118249464
(4R)-8-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 125495840
5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-piperidin-4-ylpyridin-2-amine
CID 68405606
1-(2-Chloro-5-trifluoromethyl-benzyl)-7-[6-(4-methylpiperazin-1-yl)-pyridin-3-yl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazine
CID 46906623
3-(2,3-Dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazin-2-amine
CID 168269876
3-(2,3-Dichlorophenyl)-6-(piperazin-1-yl)pyrazin-2-amine
CID 168284680
6-[4-(2-Aminoethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 168290993
1-[5-(2,3-Dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 118247966

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H](C)N1.C[C@@H]1CN(c2cnc(Br)c(N)n2)C[C@H](C)N1.
What is the InChIKey of 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?
The InChIKey is AXRCDPOSXLAHBS-LOLLVERESA-N. The full InChI is InChI=1S/C16H19Cl2N5.C10H16BrN5/c1-9-7-23(8-10(2)21-9)13-6-20-15(16(19)22-13)11-4-3-5-12(17)14(11)18;1-6-4-16(5-7(2)14-6)8-3-13-9(11)10(12)15-8/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22);3,6-7,14H,4-5H2,1-2H3,(H2,12,15)/t9-,10+;6-,7+.
What are the key properties of 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?
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 has a molecular weight of 638.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157262934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).