N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

C9H7F3N4OS — CID 106928356

IUPACN-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNC1=NC(=CC(=N1)SC2=NC=CO2)C(F)(F)F
InChIInChI=1S/C9H7F3N4OS/c1-13-7-15-5(9(10,11)12)4-6(16-7)18-8-14-2-3-17-8/h2-4H,1H3,(H,13,15,16)
InChIKeyQVIUVCZSTPCDDR-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106928356) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106928356
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC NameN-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNC1=NC(=CC(=N1)SC2=NC=CO2)C(F)(F)F
InChIInChI=1S/C9H7F3N4OS/c1-13-7-15-5(9(10,11)12)4-6(16-7)18-8-14-2-3-17-8/h2-4H,1H3,(H,13,15,16)
InChIKeyQVIUVCZSTPCDDR-UHFFFAOYSA-N
XLogP2.60
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity281

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.60
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
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
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
5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928253
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
N-ethyl-5-fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928349

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 106928356) is N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is CNC1=NC(=CC(=N1)SC2=NC=CO2)C(F)(F)F.
What is the InChIKey of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QVIUVCZSTPCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-13-7-15-5(9(10,11)12)4-6(16-7)18-8-14-2-3-17-8/h2-4H,1H3,(H,13,15,16).
What are the key properties of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 276.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106928356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).