N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

C16H19F3N6 — CID 154883523

IUPACN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C16H19F3N6/c1-23(2)14-5-6-20-15(22-14)25-9-7-24(8-10-25)13-4-3-12(11-21-13)16(17,18)19/h3-6,11H,7-10H2,1-2H3
InChIKeyDLSGFHUNPUQKLI-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.28
Rot. Bonds3

About N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 154883523) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID154883523
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC NameN,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C16H19F3N6/c1-23(2)14-5-6-20-15(22-14)25-9-7-24(8-10-25)13-4-3-12(11-21-13)16(17,18)19/h3-6,11H,7-10H2,1-2H3
InChIKeyDLSGFHUNPUQKLI-UHFFFAOYSA-N
XLogP2.28
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155973955
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165432979
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 146079492

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (CID 154883523) is N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is DLSGFHUNPUQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c1-23(2)14-5-6-20-15(22-14)25-9-7-24(8-10-25)13-4-3-12(11-21-13)16(17,18)19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 352.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 154883523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).