2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H17N5 — CID 155547051

IUPAC2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H17N5/c1-12-7-5-6-10-14(12)15-20-16(18)22-17(21-15)19-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyGTIWQOJBKWQSCX-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.04
Rot. Bonds4

About 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 155547051) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID155547051
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H17N5/c1-12-7-5-6-10-14(12)15-20-16(18)22-17(21-15)19-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyGTIWQOJBKWQSCX-UHFFFAOYSA-N
XLogP3.04
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 155547051) is 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1-c1nc(N)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GTIWQOJBKWQSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-12-7-5-6-10-14(12)15-20-16(18)22-17(21-15)19-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155547051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).