6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine

C19H23F3N6 — CID 71516563

IUPAC6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCN(C(CN)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N6/c1-2-15-17(24)25-12-26-18(15)28-9-7-27(8-10-28)16(11-23)13-3-5-14(6-4-13)19(20,21)22/h2-6,12,16H,1,7-11,23H2,(H2,24,25,26)
InChIKeyCRRPJTULCQOFOC-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.54
Rot. Bonds5

About 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine

6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine (PubChem CID 71516563) has the molecular formula C19H23F3N6 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine
PubChem CID71516563
Molecular FormulaC19H23F3N6
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCN(C(CN)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H23F3N6/c1-2-15-17(24)25-12-26-18(15)28-9-7-27(8-10-28)16(11-23)13-3-5-14(6-4-13)19(20,21)22/h2-6,12,16H,1,7-11,23H2,(H2,24,25,26)
InChIKeyCRRPJTULCQOFOC-UHFFFAOYSA-N
XLogP2.54
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine?
The IUPAC name of 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine (CID 71516563) is 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine is C=Cc1c(N)ncnc1N1CCN(C(CN)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine?
The InChIKey is CRRPJTULCQOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6/c1-2-15-17(24)25-12-26-18(15)28-9-7-27(8-10-28)16(11-23)13-3-5-14(6-4-13)19(20,21)22/h2-6,12,16H,1,7-11,23H2,(H2,24,25,26).
What are the key properties of 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine?
6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine has a molecular weight of 392.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-ethenylpyrimidin-4-amine is sourced from PubChem (CID 71516563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).