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

C17H21Cl2N5 — CID 167432571

IUPAC6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(N)CCN(Cc2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)10-11-9-22-15(16(20)23-11)12-3-2-4-13(18)14(12)19/h2-4,9H,5-8,10,21H2,1H3,(H2,20,23)
InChIKeyQBPFZZKCEYSWCJ-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.35
Rot. Bonds3

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

6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 167432571) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID167432571
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESCC1(N)CCN(Cc2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)10-11-9-22-15(16(20)23-11)12-3-2-4-13(18)14(12)19/h2-4,9H,5-8,10,21H2,1H3,(H2,20,23)
InChIKeyQBPFZZKCEYSWCJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]methyl]-4-methylpiperidin-4-amine
CID 134182766
2-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-amine
CID 156701788
3-(2,3-dichlorophenyl)-6-[4-(ethylamino)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 167296773
6-[(3S)-3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 126480959
(3R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4,4-dimethylpiperidin-3-ol
CID 161181664
2-(4-amino-4-methylpiperidin-1-yl)-5-(2,3-dichlorophenyl)-1,3-oxazol-4-amine
CID 156701789
(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 91824802
6-(4,9-diazadispiro[2.1.25.33]decan-9-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 163880923
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-(2,3-dichlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 160542934
6-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118249470
5-(2,3-dichlorophenyl)-6-methylpyrazin-2-amine
CID 142143814

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 167432571) is 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is CC1(N)CCN(Cc2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is QBPFZZKCEYSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)10-11-9-22-15(16(20)23-11)12-3-2-4-13(18)14(12)19/h2-4,9H,5-8,10,21H2,1H3,(H2,20,23).
What are the key properties of 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 366.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-4-methylpiperidin-1-yl)methyl]-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 167432571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).