4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C12H15F3N2O2 — CID 130210333

IUPAC4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1OCC1COC1
InChIInChI=1S/C12H15F3N2O2/c1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8/h3,7-8H,4-6H2,1-2H3
InChIKeyYAKBHRJMLHZHCH-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.64
Rot. Bonds4

About 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 130210333) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID130210333
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cnc(C(F)(F)F)nc1OCC1COC1
InChIInChI=1S/C12H15F3N2O2/c1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8/h3,7-8H,4-6H2,1-2H3
InChIKeyYAKBHRJMLHZHCH-UHFFFAOYSA-N
XLogP2.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 130210333) is 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1cnc(C(F)(F)F)nc1OCC1COC1.
What is the InChIKey of 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is YAKBHRJMLHZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)9-3-16-11(12(13,14)15)17-10(9)19-6-8-4-18-5-8/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 276.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 130210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).