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

C9H7F3N4OS — CID 106928238

IUPACN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncco2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4OS/c1-13-5-4-6(18-8-14-2-3-17-8)16-7(15-5)9(10,11)12/h2-4H,1H3,(H,13,15,16)
InChIKeyVJDXESGBKLXESN-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.68
Rot. Bonds3

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

N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106928238) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106928238
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC NameN-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ncco2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4OS/c1-13-5-4-6(18-8-14-2-3-17-8)16-7(15-5)9(10,11)12/h2-4H,1H3,(H,13,15,16)
InChIKeyVJDXESGBKLXESN-UHFFFAOYSA-N
XLogP2.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3-oxazole
CID 106923333
2-(6-Fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923340
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 106923407
4-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928204
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
5-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928320
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-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106928238) is N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2ncco2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VJDXESGBKLXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-13-5-4-6(18-8-14-2-3-17-8)16-7(15-5)9(10,11)12/h2-4H,1H3,(H,13,15,16).
What are the key properties of N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 276.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106928238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).