6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane

C23H25N7 — CID 145173162

IUPAC6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane
SMILESCC.[H]/N=C/c1c(N)ncnc1-c1ccc2nc(N(C)Cc3ccccc3)cnc2c1
InChIInChI=1S/C21H19N7.C2H6/c1-28(12-14-5-3-2-4-6-14)19-11-24-18-9-15(7-8-17(18)27-19)20-16(10-22)21(23)26-13-25-20;1-2/h2-11,13,22H,12H2,1H3,(H2,23,25,26);1-2H3/b22-10+;
InChIKeyXVPFVCZJHLCEHP-UAONINCZSA-N
MW399.50 g/mol
LogP4.33
Rot. Bonds5

About 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane

6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane (PubChem CID 145173162) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane.

Molecular Properties

Compound Name6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane
PubChem CID145173162
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane
SMILESCC.[H]/N=C/c1c(N)ncnc1-c1ccc2nc(N(C)Cc3ccccc3)cnc2c1
InChIInChI=1S/C21H19N7.C2H6/c1-28(12-14-5-3-2-4-6-14)19-11-24-18-9-15(7-8-17(18)27-19)20-16(10-22)21(23)26-13-25-20;1-2/h2-11,13,22H,12H2,1H3,(H2,23,25,26);1-2H3/b22-10+;
InChIKeyXVPFVCZJHLCEHP-UAONINCZSA-N
XLogP4.33
TPSA104.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine
CID 145173141
N-benzyl-N-methyl-7-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2,4-benzotriazin-3-amine
CID 122644038
tert-butyl 4-[2-[benzyl(methyl)amino]quinoxalin-6-yl]pyrazole-1-carboxylate
CID 66797397
N-benzyl-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-amine
CID 145173153
N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
CID 62358942
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
N-[(4-tert-butylphenyl)methyl]-N-methyl-5,6-diphenylpyrazin-2-amine
CID 162718221
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
5-methanimidoyl-6-methylpyrimidin-4-amine
CID 87419378
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane?
The IUPAC name of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane (CID 145173162) is 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane.
What is the SMILES notation for 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane?
The canonical SMILES for 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane is CC.[H]/N=C/c1c(N)ncnc1-c1ccc2nc(N(C)Cc3ccccc3)cnc2c1.
What is the InChIKey of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane?
The InChIKey is XVPFVCZJHLCEHP-UAONINCZSA-N. The full InChI is InChI=1S/C21H19N7.C2H6/c1-28(12-14-5-3-2-4-6-14)19-11-24-18-9-15(7-8-17(18)27-19)20-16(10-22)21(23)26-13-25-20;1-2/h2-11,13,22H,12H2,1H3,(H2,23,25,26);1-2H3/b22-10+;.
What are the key properties of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane?
6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane has a molecular weight of 399.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine;ethane is sourced from PubChem (CID 145173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).