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

C12H22N6 — CID 25133970

IUPAC4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C12H22N6/c1-12(2,3)9-14-10(13)16-11(15-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyJGKUWEOBHCNGSP-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.50
Rot. Bonds1

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

4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 25133970) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID25133970
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C12H22N6/c1-12(2,3)9-14-10(13)16-11(15-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyJGKUWEOBHCNGSP-UHFFFAOYSA-N
XLogP0.50
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 25133970) is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JGKUWEOBHCNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-12(2,3)9-14-10(13)16-11(15-9)18-7-5-17(4)6-8-18/h5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 25133970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).