4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

C8H5F3N4OS — CID 106928204

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESC1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)N
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)4-3-5(15-6(12)14-4)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15)
InChIKeyNPIGGKVKZWDRSH-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.90
Rot. Bonds2

About 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106928204) has the molecular formula C8H5F3N4OS and a molecular weight of 262.21 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106928204
Molecular FormulaC8H5F3N4OS
Molecular Weight262.21 g/mol
Exact Mass262.01
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESC1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)N
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)4-3-5(15-6(12)14-4)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15)
InChIKeyNPIGGKVKZWDRSH-UHFFFAOYSA-N
XLogP1.90
TPSA103.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity268

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 100705598
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923411
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
5-fluoro-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928252
6-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928260
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928314
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928315
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928386

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 106928204) is 4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is C1=COC(=N1)SC2=NC(=NC(=C2)C(F)(F)F)N.
What is the InChIKey of 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NPIGGKVKZWDRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)4-3-5(15-6(12)14-4)17-7-13-1-2-16-7/h1-3H,(H2,12,14,15).
What are the key properties of 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 262.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106928204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).