5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine

C20H22F3N7 — CID 130317231

IUPAC5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2c(N)ncnc2N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C20H22F3N7/c1-28-12-15(10-27-28)17-18(24)25-13-26-19(17)30-8-6-29(7-9-30)11-14-2-4-16(5-3-14)20(21,22)23/h2-5,10,12-13H,6-9,11H2,1H3,(H2,24,25,26)
InChIKeyWDERFOCGBZWQOA-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.80
Rot. Bonds4

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

5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 130317231) has the molecular formula C20H22F3N7 and a molecular weight of 417.44 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID130317231
Molecular FormulaC20H22F3N7
Molecular Weight417.44 g/mol
Exact Mass417.19
IUPAC Name5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2c(N)ncnc2N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C20H22F3N7/c1-28-12-15(10-27-28)17-18(24)25-13-26-19(17)30-8-6-29(7-9-30)11-14-2-4-16(5-3-14)20(21,22)23/h2-5,10,12-13H,6-9,11H2,1H3,(H2,24,25,26)
InChIKeyWDERFOCGBZWQOA-UHFFFAOYSA-N
XLogP2.80
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 89442472
6-[4-[(1S)-2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine
CID 71516648
6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 78094598
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 59321897
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
6-(4-benzylpiperazin-1-yl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 19139389
5-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 136522199
1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phthalazine
CID 71944102
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 86641657

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine (CID 130317231) is 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine is Cn1cc(-c2c(N)ncnc2N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is WDERFOCGBZWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7/c1-28-12-15(10-27-28)17-18(24)25-13-26-19(17)30-8-6-29(7-9-30)11-14-2-4-16(5-3-14)20(21,22)23/h2-5,10,12-13H,6-9,11H2,1H3,(H2,24,25,26).
What are the key properties of 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine?
5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 417.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 130317231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).