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

C11H11F3N4OS — CID 106928728

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Sc2nc(C)c(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-5-6(2)19-10(16-5)20-8-4-7(11(12,13)14)17-9(15-3)18-8/h4H,1-3H3,(H,15,17,18)
InChIKeyGOGPRYYQNFAHBV-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.29
Rot. Bonds3

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106928728) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106928728
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(Sc2nc(C)c(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS/c1-5-6(2)19-10(16-5)20-8-4-7(11(12,13)14)17-9(15-3)18-8/h4H,1-3H3,(H,15,17,18)
InChIKeyGOGPRYYQNFAHBV-UHFFFAOYSA-N
XLogP3.29
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-Dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 71943122
2-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923488
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923496
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
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928356
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928405
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 106928728) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(Sc2nc(C)c(C)o2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GOGPRYYQNFAHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-5-6(2)19-10(16-5)20-8-4-7(11(12,13)14)17-9(15-3)18-8/h4H,1-3H3,(H,15,17,18).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 304.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106928728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).