4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine

C9H9F3N2O2 — CID 168894201

IUPAC4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(OC2COC2)ncc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-5-7(9(10,11)12)2-13-8(14-5)16-6-3-15-4-6/h2,6H,3-4H2,1H3
InChIKeyCBRKPWJCEQFLCM-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine

4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 168894201) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
PubChem CID168894201
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(OC2COC2)ncc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-5-7(9(10,11)12)2-13-8(14-5)16-6-3-15-4-6/h2,6H,3-4H2,1H3
InChIKeyCBRKPWJCEQFLCM-UHFFFAOYSA-N
XLogP1.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine (CID 168894201) is 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine is Cc1nc(OC2COC2)ncc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is CBRKPWJCEQFLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5-7(9(10,11)12)2-13-8(14-5)16-6-3-15-4-6/h2,6H,3-4H2,1H3.
What are the key properties of 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine?
4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 234.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 168894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).