6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

C17H21Cl2N5 — CID 118249463

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(10-20)5-7-24(8-6-17)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)
InChIKeyZAMNYDQBNJFTSZ-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.60
Rot. Bonds3

About 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 118249463) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID118249463
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(10-20)5-7-24(8-6-17)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)
InChIKeyZAMNYDQBNJFTSZ-UHFFFAOYSA-N
XLogP3.60
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118238298
Elpetrigine
CID 9926001
Pyrazine-Pyridine Biheteroaryl 28
CID 5330364
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11496213
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379
Pyrazine-Pyridine Biheteroaryl 59
CID 5330384
8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
CID 9927411
(E)-1-(3,4-dichlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
CID 11200205
(Z)-1-(3-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11325818
(E)-1-(2-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11371795

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 118249463) is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is CC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is ZAMNYDQBNJFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c1-17(10-20)5-7-24(8-6-17)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).
What are the key properties of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 366.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 118249463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).