[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide

C22H22F3N6- — CID 157303748

IUPAC[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide
SMILES[NH-]Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C22H22F3N6/c23-22(24,25)17-6-4-16(5-7-17)20-13-19(14-26)28-21(29-20)31-11-9-30(10-12-31)15-18-3-1-2-8-27-18/h1-8,13,26H,9-12,14-15H2/q-1
InChIKeyBCEZKVHXPGGJLG-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.43
Rot. Bonds5

About [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide

[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide (PubChem CID 157303748) has the molecular formula C22H22F3N6- and a molecular weight of 427.45 g/mol. Its IUPAC name is [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide.

Molecular Properties

Compound Name[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide
PubChem CID157303748
Molecular FormulaC22H22F3N6-
Molecular Weight427.45 g/mol
Exact Mass427.19
IUPAC Name[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide
SMILES[NH-]Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C22H22F3N6/c23-22(24,25)17-6-4-16(5-7-17)20-13-19(14-26)28-21(29-20)31-11-9-30(10-12-31)15-18-3-1-2-8-27-18/h1-8,13,26H,9-12,14-15H2/q-1
InChIKeyBCEZKVHXPGGJLG-UHFFFAOYSA-N
XLogP4.43
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methylazanide
CID 158938059
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040339
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
CID 171327302
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470932
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[(3,5-difluorophenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 171995648
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol
CID 135482228

Frequently Asked Questions

What is the IUPAC name of [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide?
The IUPAC name of [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide (CID 157303748) is [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide.
What is the SMILES notation for [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide?
The canonical SMILES for [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide is [NH-]Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide?
The InChIKey is BCEZKVHXPGGJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N6/c23-22(24,25)17-6-4-16(5-7-17)20-13-19(14-26)28-21(29-20)31-11-9-30(10-12-31)15-18-3-1-2-8-27-18/h1-8,13,26H,9-12,14-15H2/q-1.
What are the key properties of [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide?
[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide has a molecular weight of 427.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide is sourced from PubChem (CID 157303748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).