[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol

C15H17F3N6O — CID 155385415

IUPAC[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
SMILESOC[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)13-3-12(9-4-20-24(7-9)11-5-19-6-11)21-14(22-13)23-2-1-10(23)8-25/h3-4,7,10-11,19,25H,1-2,5-6,8H2/t10-/m1/s1
InChIKeyLVUCTISISVRTJU-SNVBAGLBSA-N
MW354.34 g/mol
LogP1.07
Rot. Bonds4

About [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol

[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol (PubChem CID 155385415) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
PubChem CID155385415
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
SMILESOC[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6O/c16-15(17,18)13-3-12(9-4-20-24(7-9)11-5-19-6-11)21-14(22-13)23-2-1-10(23)8-25/h3-4,7,10-11,19,25H,1-2,5-6,8H2/t10-/m1/s1
InChIKeyLVUCTISISVRTJU-SNVBAGLBSA-N
XLogP1.07
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol (CID 155385415) is [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol is OC[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1.
What is the InChIKey of [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The InChIKey is LVUCTISISVRTJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N6O/c16-15(17,18)13-3-12(9-4-20-24(7-9)11-5-19-6-11)21-14(22-13)23-2-1-10(23)8-25/h3-4,7,10-11,19,25H,1-2,5-6,8H2/t10-/m1/s1.
What are the key properties of [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol has a molecular weight of 354.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol is sourced from PubChem (CID 155385415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).