2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine

C20H18N6 — CID 29185101

IUPAC2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c2cccnc12
InChIInChI=1S/C20H18N6/c1-13-9-10-16(15-8-5-11-22-17(13)15)18-24-19(21)26-20(25-18)23-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H3,21,23,24,25,26)
InChIKeyHTORMMJHYZJHDZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds4

About 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 29185101) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID29185101
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c2cccnc12
InChIInChI=1S/C20H18N6/c1-13-9-10-16(15-8-5-11-22-17(13)15)18-24-19(21)26-20(25-18)23-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H3,21,23,24,25,26)
InChIKeyHTORMMJHYZJHDZ-UHFFFAOYSA-N
XLogP3.59
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine (CID 29185101) is 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)c2cccnc12.
What is the InChIKey of 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HTORMMJHYZJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-13-9-10-16(15-8-5-11-22-17(13)15)18-24-19(21)26-20(25-18)23-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H3,21,23,24,25,26).
What are the key properties of 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 342.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 29185101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).