N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

C12H18F3N3S — CID 65041075

IUPACN-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SC(C)CNCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C12H18F3N3S/c1-7(5-16-6-12(13,14)15)19-11-17-9(3)8(2)10(4)18-11/h7,16H,5-6H2,1-4H3
InChIKeyUCWCUVPZDCRQMQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.03
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 65041075) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID65041075
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SC(C)CNCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C12H18F3N3S/c1-7(5-16-6-12(13,14)15)19-11-17-9(3)8(2)10(4)18-11/h7,16H,5-6H2,1-4H3
InChIKeyUCWCUVPZDCRQMQ-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-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 N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 65041075) is N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is Cc1nc(SC(C)CNCC(F)(F)F)nc(C)c1C.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is UCWCUVPZDCRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-7(5-16-6-12(13,14)15)19-11-17-9(3)8(2)10(4)18-11/h7,16H,5-6H2,1-4H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 65041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).