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

C15H20N6 — CID 90645149

IUPAC4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C15H20N6/c1-11-4-3-5-12(10-11)13-17-14(16)19-15(18-13)21-8-6-20(2)7-9-21/h3-5,10H,6-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyIKSTUDSHPYRQSX-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.18
Rot. Bonds2

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

4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645149) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645149
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C15H20N6/c1-11-4-3-5-12(10-11)13-17-14(16)19-15(18-13)21-8-6-20(2)7-9-21/h3-5,10H,6-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyIKSTUDSHPYRQSX-UHFFFAOYSA-N
XLogP1.18
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645149) is 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(N)nc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is IKSTUDSHPYRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-4-3-5-12(10-11)13-17-14(16)19-15(18-13)21-8-6-20(2)7-9-21/h3-5,10H,6-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).