4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C12H16ClF3N4 — CID 63728372

IUPAC4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16ClF3N4/c1-8-10(13)17-9(2)18-11(8)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3
InChIKeyVVPUWXCCNYXAMM-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 63728372) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID63728372
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16ClF3N4/c1-8-10(13)17-9(2)18-11(8)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3
InChIKeyVVPUWXCCNYXAMM-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine 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 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 63728372) is 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is Cc1nc(Cl)c(C)c(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is VVPUWXCCNYXAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-8-10(13)17-9(2)18-11(8)20-5-3-19(4-6-20)7-12(14,15)16/h3-7H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 308.74 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 63728372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).