6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H12F3N3O — CID 123586037

IUPAC6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(NC2COC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-2-6-3-8(14-7-4-17-5-7)16-9(15-6)10(11,12)13/h3,7H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyMMSSXVCXXFZXBF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.87
Rot. Bonds3

About 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 123586037) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID123586037
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cc(NC2COC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-2-6-3-8(14-7-4-17-5-7)16-9(15-6)10(11,12)13/h3,7H,2,4-5H2,1H3,(H,14,15,16)
InChIKeyMMSSXVCXXFZXBF-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 123586037) is 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CCc1cc(NC2COC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MMSSXVCXXFZXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-6-3-8(14-7-4-17-5-7)16-9(15-6)10(11,12)13/h3,7H,2,4-5H2,1H3,(H,14,15,16).
What are the key properties of 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 123586037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).