6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

C19H24F3N7 — CID 70929943

IUPAC6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCCC2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H24F3N7/c20-19(21,22)14-5-4-6-24-17(14)28-9-11-29(12-10-28)18-25-15(23)13-16(26-18)27-7-2-1-3-8-27/h4-6,13H,1-3,7-12H2,(H2,23,25,26)
InChIKeyBQFURUSXRQJFRT-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.79
Rot. Bonds3

About 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 70929943) has the molecular formula C19H24F3N7 and a molecular weight of 407.44 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID70929943
Molecular FormulaC19H24F3N7
Molecular Weight407.44 g/mol
Exact Mass407.20
IUPAC Name6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCCC2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H24F3N7/c20-19(21,22)14-5-4-6-24-17(14)28-9-11-29(12-10-28)18-25-15(23)13-16(26-18)27-7-2-1-3-8-27/h4-6,13H,1-3,7-12H2,(H2,23,25,26)
InChIKeyBQFURUSXRQJFRT-UHFFFAOYSA-N
XLogP2.79
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(3,4-difluorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 142991038
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
6-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-amine
CID 177168205
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
4-[4-[2-methylidene-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-phenylpyrimidin-2-yl]morpholine
CID 158919491
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
CID 71216213
1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylazepan-4-amine
CID 142990834
4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
CID 10391197
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-fluoro-5-[2-pyridin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]aniline
CID 89380350

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (CID 70929943) is 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCCCC2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is BQFURUSXRQJFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7/c20-19(21,22)14-5-4-6-24-17(14)28-9-11-29(12-10-28)18-25-15(23)13-16(26-18)27-7-2-1-3-8-27/h4-6,13H,1-3,7-12H2,(H2,23,25,26).
What are the key properties of 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 407.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70929943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).