6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H13F3N4OS — CID 106928755

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=C(O2)C)C
InChIInChI=1S/C12H13F3N4OS/c1-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19)
InChIKeyUMYROMDIIDWJDV-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.80
Rot. Bonds4

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106928755) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106928755
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=C(O2)C)C
InChIInChI=1S/C12H13F3N4OS/c1-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19)
InChIKeyUMYROMDIIDWJDV-UHFFFAOYSA-N
XLogP3.80
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity347

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378779
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378905
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923489
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
N-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928434
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928456
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928508
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928509
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928546
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928576
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928621

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106928755) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=C(O2)C)C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UMYROMDIIDWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-4-16-8-5-9(19-10(18-8)12(13,14)15)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106928755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).