5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine

C13H15F3N4S — CID 106784371

IUPAC5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1CC
InChIInChI=1S/C13H15F3N4S/c1-3-5-17-11-8(4-2)10(19-7-20-11)9-6-18-12(21-9)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyFHTYRQIDIXNZRQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.00
Rot. Bonds5

About 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine

5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (PubChem CID 106784371) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
PubChem CID106784371
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1CC
InChIInChI=1S/C13H15F3N4S/c1-3-5-17-11-8(4-2)10(19-7-20-11)9-6-18-12(21-9)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyFHTYRQIDIXNZRQ-UHFFFAOYSA-N
XLogP4.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-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

N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 136696919
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 106784338
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858384
3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (CID 106784371) is 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is CCCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1CC.
What is the InChIKey of 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The InChIKey is FHTYRQIDIXNZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-3-5-17-11-8(4-2)10(19-7-20-11)9-6-18-12(21-9)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,19,20).
What are the key properties of 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine has a molecular weight of 316.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 106784371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).