4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

C11H17F3N6O — CID 80807282

IUPAC4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCNC1=NC(=NC(=N1)OC)N2CCN(CC2)CC(F)(F)F
InChIInChI=1S/C11H17F3N6O/c1-15-8-16-9(18-10(17-8)21-2)20-5-3-19(4-6-20)7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyAHQOMWPIKDTYOY-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.00
Rot. Bonds4

About 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80807282) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80807282
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCNC1=NC(=NC(=N1)OC)N2CCN(CC2)CC(F)(F)F
InChIInChI=1S/C11H17F3N6O/c1-15-8-16-9(18-10(17-8)21-2)20-5-3-19(4-6-20)7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyAHQOMWPIKDTYOY-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity324

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 80807282) is 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is CNC1=NC(=NC(=N1)OC)N2CCN(CC2)CC(F)(F)F.
What is the InChIKey of 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is AHQOMWPIKDTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c1-15-8-16-9(18-10(17-8)21-2)20-5-3-19(4-6-20)7-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 306.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80807282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).