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

C16H22N6 — CID 90645164

IUPAC4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C16H22N6/c1-11-4-5-13(10-12(11)2)14-18-15(17)20-16(19-14)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyCNTXJPIYOXOVSP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.49
Rot. Bonds2

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

4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645164) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645164
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C
InChIInChI=1S/C16H22N6/c1-11-4-5-13(10-12(11)2)14-18-15(17)20-16(19-14)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyCNTXJPIYOXOVSP-UHFFFAOYSA-N
XLogP1.49
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645164) is 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1ccc(-c2nc(N)nc(N3CCN(C)CC3)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CNTXJPIYOXOVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11-4-5-13(10-12(11)2)14-18-15(17)20-16(19-14)22-8-6-21(3)7-9-22/h4-5,10H,6-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).