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

C11H16ClF3N6 — CID 62970573

IUPAC4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16ClF3N6/c1-19(2)9-16-8(12)17-10(18-9)21-5-3-20(4-6-21)7-11(13,14)15/h3-7H2,1-2H3
InChIKeyOLNIIUDOPPGNJL-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.28
Rot. Bonds3

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

4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 62970573) has the molecular formula C11H16ClF3N6 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID62970573
Molecular FormulaC11H16ClF3N6
Molecular Weight324.74 g/mol
Exact Mass324.11
IUPAC Name4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16ClF3N6/c1-19(2)9-16-8(12)17-10(18-9)21-5-3-20(4-6-21)7-11(13,14)15/h3-7H2,1-2H3
InChIKeyOLNIIUDOPPGNJL-UHFFFAOYSA-N
XLogP1.28
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1,3,5-Triazin-2-amine, N,N-dimethyl-4-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)-
CID 3041964
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453895
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 177318021
N,N,N',N'-tetramethyl-6-(4-methyl-1-piperzinyl)-1,3,5-triazine-2,4-diamine
CID 129659101
2,4-Dichloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 55141169
6-chloro-4-N,4-N-dimethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62863959
6-chloro-4-N,4-N-diethyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62864137
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62864229
4-chloro-N-methyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864231
6-chloro-4-N,4-N-diethyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62864660
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 62864833
4-chloro-N-ethyl-6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62865005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 62970573) is 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is OLNIIUDOPPGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N6/c1-19(2)9-16-8(12)17-10(18-9)21-5-3-20(4-6-21)7-11(13,14)15/h3-7H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 324.74 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62970573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).