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

C9H7F3N4S — CID 106784394

IUPAC2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H7F3N4S/c1-4-15-5(2-7(13)16-4)6-3-14-8(17-6)9(10,11)12/h2-3H,1H3,(H2,13,15,16)
InChIKeyHRNXHIGGBMLJGR-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.51
Rot. Bonds1

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

2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (PubChem CID 106784394) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
PubChem CID106784394
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H7F3N4S/c1-4-15-5(2-7(13)16-4)6-3-14-8(17-6)9(10,11)12/h2-3H,1H3,(H2,13,15,16)
InChIKeyHRNXHIGGBMLJGR-UHFFFAOYSA-N
XLogP2.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784301
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859442
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784291
1-cyclobutyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazol-5-amine
CID 176884304
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
6-(3-fluoropyrazin-2-yl)-2-methylpyrimidin-4-amine
CID 66599871
6-(4-aminopyrimidin-5-yl)-2-methylpyrimidin-4-amine
CID 66958149
5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole
CID 118334147
6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82305702
N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 106784338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (CID 106784394) is 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is Cc1nc(N)cc(-c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The InChIKey is HRNXHIGGBMLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c1-4-15-5(2-7(13)16-4)6-3-14-8(17-6)9(10,11)12/h2-3H,1H3,(H2,13,15,16).
What are the key properties of 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine has a molecular weight of 260.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 106784394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).