5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine

C15H17F3N6 — CID 50948434

IUPAC5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)12-2-1-3-13(22-12)24-6-4-23(5-7-24)10-11-8-20-14(19)21-9-11/h1-3,8-9H,4-7,10H2,(H2,19,20,21)
InChIKeyCXKSQDQLRTZPJA-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.79
Rot. Bonds3

About 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine

5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 50948434) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
PubChem CID50948434
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)12-2-1-3-13(22-12)24-6-4-23(5-7-24)10-11-8-20-14(19)21-9-11/h1-3,8-9H,4-7,10H2,(H2,19,20,21)
InChIKeyCXKSQDQLRTZPJA-UHFFFAOYSA-N
XLogP1.79
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133452314
N'-hydroxy-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanimidamide
CID 77011764
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 164916943
4-[4-[(3-ethenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50983078
4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 146077999
5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50966673
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
2-methyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 63344174
formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 162044922

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine (CID 50948434) is 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine is Nc1ncc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cn1.
What is the InChIKey of 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is CXKSQDQLRTZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6/c16-15(17,18)12-2-1-3-13(22-12)24-6-4-23(5-7-24)10-11-8-20-14(19)21-9-11/h1-3,8-9H,4-7,10H2,(H2,19,20,21).
What are the key properties of 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 338.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 50948434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).