pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol

C16H15F3N2O2 — CID 56653029

IUPACpyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESOC(c1ncccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)23-12-5-3-11(4-6-12)15(7-1-8-15)13(22)14-20-9-2-10-21-14/h2-6,9-10,13,22H,1,7-8H2
InChIKeyKWGXZNZLHFMARC-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.53
Rot. Bonds4

About pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol

pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol (PubChem CID 56653029) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Namepyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
PubChem CID56653029
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Namepyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESOC(c1ncccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)23-12-5-3-11(4-6-12)15(7-1-8-15)13(22)14-20-9-2-10-21-14/h2-6,9-10,13,22H,1,7-8H2
InChIKeyKWGXZNZLHFMARC-UHFFFAOYSA-N
XLogP3.53
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The IUPAC name of pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol (CID 56653029) is pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.
What is the SMILES notation for pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The canonical SMILES for pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol is OC(c1ncccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The InChIKey is KWGXZNZLHFMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)23-12-5-3-11(4-6-12)15(7-1-8-15)13(22)14-20-9-2-10-21-14/h2-6,9-10,13,22H,1,7-8H2.
What are the key properties of pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol has a molecular weight of 324.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol is sourced from PubChem (CID 56653029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).