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

C11H11F3N4OS — CID 106928576

IUPACN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C
InChIInChI=1S/C11H11F3N4OS/c1-3-15-7-4-8(18-9(17-7)11(12,13)14)20-10-16-6(2)5-19-10/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyWUZMBLIRIXLRGA-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.40
Rot. Bonds4

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

N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106928576) has the molecular formula C11H11F3N4OS and a molecular weight of 304.29 g/mol. Its IUPAC name is N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106928576
Molecular FormulaC11H11F3N4OS
Molecular Weight304.29 g/mol
Exact Mass304.06
IUPAC NameN-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C
InChIInChI=1S/C11H11F3N4OS/c1-3-15-7-4-8(18-9(17-7)11(12,13)14)20-10-16-6(2)5-19-10/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyWUZMBLIRIXLRGA-UHFFFAOYSA-N
XLogP3.40
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity321

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1,3-oxazole
CID 106923413
2-(6-Fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923419
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928238
6-(1,3-oxazol-2-ylsulfanyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928261
N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106928386
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
5-fluoro-N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928448
5-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928449
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106928576) is N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCNC1=CC(=NC(=N1)C(F)(F)F)SC2=NC(=CO2)C.
What is the InChIKey of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WUZMBLIRIXLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-3-15-7-4-8(18-9(17-7)11(12,13)14)20-10-16-6(2)5-19-10/h4-5H,3H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106928576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).