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

C9H10F3N3O — CID 90245654

IUPAC6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(NC2COC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-5-2-7(14-6-3-16-4-6)15-8(13-5)9(10,11)12/h2,6H,3-4H2,1H3,(H,13,14,15)
InChIKeyHFENOPQAQQXMLF-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.61
Rot. Bonds2

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

6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 90245654) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID90245654
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(NC2COC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-5-2-7(14-6-3-16-4-6)15-8(13-5)9(10,11)12/h2,6H,3-4H2,1H3,(H,13,14,15)
InChIKeyHFENOPQAQQXMLF-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 90245654) is 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(NC2COC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HFENOPQAQQXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-2-7(14-6-3-16-4-6)15-8(13-5)9(10,11)12/h2,6H,3-4H2,1H3,(H,13,14,15).
What are the key properties of 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 233.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 90245654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).