4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C15H20N6 — CID 121238069

IUPAC4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
InChIKeyMEQIQKSLCCPRLP-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.80
Rot. Bonds3

About 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 121238069) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID121238069
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
InChIKeyMEQIQKSLCCPRLP-UHFFFAOYSA-N
XLogP0.80
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 121238069) is 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(Cc3ccccc3)n2)CC1.
What is the InChIKey of 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MEQIQKSLCCPRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 121238069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).