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

C12H13F3N4OS — CID 106928689

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2nc(C)c(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-4-16-10-18-8(12(13,14)15)5-9(19-10)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19)
InChIKeyHPTHBKZJTSIACU-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.68
Rot. Bonds4

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106928689) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106928689
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2nc(C)c(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-4-16-10-18-8(12(13,14)15)5-9(19-10)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19)
InChIKeyHPTHBKZJTSIACU-UHFFFAOYSA-N
XLogP3.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.68
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
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378839
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378898
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 106928689) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(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-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HPTHBKZJTSIACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-4-16-10-18-8(12(13,14)15)5-9(19-10)21-11-17-6(2)7(3)20-11/h5H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 318.32 g/mol, XLogP of 3.68, 4 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-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106928689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).