N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C11H17F3N6 — CID 3041964

IUPACN,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N(C)C)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H17F3N6/c1-18(2)9-15-8(11(12,13)14)16-10(17-9)20-6-4-19(3)5-7-20/h4-7H2,1-3H3
InChIKeyUGNSPHRXRIHDQG-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.71
Rot. Bonds2

About N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 3041964) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID3041964
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC NameN,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N(C)C)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H17F3N6/c1-18(2)9-15-8(11(12,13)14)16-10(17-9)20-6-4-19(3)5-7-20/h4-7H2,1-3H3
InChIKeyUGNSPHRXRIHDQG-UHFFFAOYSA-N
XLogP0.71
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 3041964) is N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N(C)C)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is UGNSPHRXRIHDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c1-18(2)9-15-8(11(12,13)14)16-10(17-9)20-6-4-19(3)5-7-20/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3041964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).