4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine

C10H13ClF3N5 — CID 47159201

IUPAC4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C10H13ClF3N5/c11-7-5-8(17-9(15)16-7)19-3-1-18(2-4-19)6-10(12,13)14/h5H,1-4,6H2,(H2,15,16,17)
InChIKeyXUYPDGNPZKSDHZ-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.40
Rot. Bonds2

About 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 47159201) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID47159201
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C10H13ClF3N5/c11-7-5-8(17-9(15)16-7)19-3-1-18(2-4-19)6-10(12,13)14/h5H,1-4,6H2,(H2,15,16,17)
InChIKeyXUYPDGNPZKSDHZ-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-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

n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
4-Chloro-6-(morpholin-4-yl)pyrimidin-2-amine
CID 1484288
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
2,4-Pyrimidinediamine, 6-chloro-N,N,N',N'-tetramethyl-
CID 136757
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 13151078
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151080
N4-isopropyl-N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54582867
4-Iodo-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130237
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25130911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine (CID 47159201) is 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is XUYPDGNPZKSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5/c11-7-5-8(17-9(15)16-7)19-3-1-18(2-4-19)6-10(12,13)14/h5H,1-4,6H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 47159201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).