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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
CID 66749821
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 71522264
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 129388315
1-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79136457
[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol
CID 79124132
1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 116710608
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
cis-(1S,2R)-2-hydroxy-1-[4-(trifluoromethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 68673345

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).