6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

C32H37BrCl4N10 — CID 157350787

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2Br)CC1
InChIInChI=1S/C16H18BrCl2N5.C16H19Cl2N5/c1-16(21)5-7-24(8-6-16)15-13(17)22-12(14(20)23-15)9-3-2-4-10(18)11(9)19;1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4H,5-8,21H2,1H3,(H2,20,23);2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChIKeyBHMUNWYNFXVLBH-UHFFFAOYSA-N
MW783.43 g/mol
LogP7.46
Rot. Bonds4

About 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 157350787) has the molecular formula C32H37BrCl4N10 and a molecular weight of 783.43 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID157350787
Molecular FormulaC32H37BrCl4N10
Molecular Weight783.43 g/mol
Exact Mass780.11
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2Br)CC1
InChIInChI=1S/C16H18BrCl2N5.C16H19Cl2N5/c1-16(21)5-7-24(8-6-16)15-13(17)22-12(14(20)23-15)9-3-2-4-10(18)11(9)19;1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4H,5-8,21H2,1H3,(H2,20,23);2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChIKeyBHMUNWYNFXVLBH-UHFFFAOYSA-N
XLogP7.46
TPSA162.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.43
LogP ≤ 57.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)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
US10093646, Example 8
CID 118249463
US10093646, Example 9
CID 118249464
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
6-(4-Amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine
CID 162660903
6-(4-Aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 168286325
3-(2,3-Dichlorophenyl)-6-[4-(methylamino)piperidin-1-yl]pyrazin-2-amine
CID 168286456
6-N-(2-aminoethyl)-3-(2,3-dichlorophenyl)-6-N-methylpyrazine-2,6-diamine
CID 168296120
6-(3-Aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 123205377

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 157350787) is 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine is CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)nc2Br)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is BHMUNWYNFXVLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrCl2N5.C16H19Cl2N5/c1-16(21)5-7-24(8-6-16)15-13(17)22-12(14(20)23-15)9-3-2-4-10(18)11(9)19;1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4H,5-8,21H2,1H3,(H2,20,23);2-4,9H,5-8,20H2,1H3,(H2,19,22).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 783.43 g/mol, XLogP of 7.46, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-5-bromo-3-(2,3-dichlorophenyl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 157350787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).