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

C21H19N7 — CID 145173141

IUPAC6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine
SMILES[H]/N=C/c1c(N)ncnc1-c1ccc2nc(N(C)Cc3ccccc3)cnc2c1
InChIInChI=1S/C21H19N7/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/h2-11,13,22H,12H2,1H3,(H2,23,25,26)/b22-10+
InChIKeyQXZXQAQDQBVWTK-LSHDLFTRSA-N
MW369.43 g/mol
LogP3.30
Rot. Bonds5

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

6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine (PubChem CID 145173141) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine.

Molecular Properties

Compound Name6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine
PubChem CID145173141
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine
SMILES[H]/N=C/c1c(N)ncnc1-c1ccc2nc(N(C)Cc3ccccc3)cnc2c1
InChIInChI=1S/C21H19N7/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/h2-11,13,22H,12H2,1H3,(H2,23,25,26)/b22-10+
InChIKeyQXZXQAQDQBVWTK-LSHDLFTRSA-N
XLogP3.30
TPSA104.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine?
The IUPAC name of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine (CID 145173141) is 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine.
What is the SMILES notation for 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine?
The canonical SMILES for 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine is [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?
The InChIKey is QXZXQAQDQBVWTK-LSHDLFTRSA-N. The full InChI is InChI=1S/C21H19N7/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/h2-11,13,22H,12H2,1H3,(H2,23,25,26)/b22-10+.
What are the key properties of 6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine?
6-(6-amino-5-methanimidoylpyrimidin-4-yl)-N-benzyl-N-methylquinoxalin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 3.30, 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 is sourced from PubChem (CID 145173141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).