(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

C17H20N4O — CID 56899089

IUPAC(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCc1cc(N[C@@H](CO)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N4O/c1-11-9-16(21-17(18-11)12(2)13(3)20-21)19-15(10-22)14-7-5-4-6-8-14/h4-9,15,19,22H,10H2,1-3H3/t15-/m0/s1
InChIKeyFGFOCNGAUZQJIR-HNNXBMFYSA-N
MW296.37 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (PubChem CID 56899089) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
PubChem CID56899089
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCc1cc(N[C@@H](CO)c2ccccc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N4O/c1-11-9-16(21-17(18-11)12(2)13(3)20-21)19-15(10-22)14-7-5-4-6-8-14/h4-9,15,19,22H,10H2,1-3H3/t15-/m0/s1
InChIKeyFGFOCNGAUZQJIR-HNNXBMFYSA-N
XLogP2.80
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (CID 56899089) is (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is Cc1cc(N[C@@H](CO)c2ccccc2)n2nc(C)c(C)c2n1.
What is the InChIKey of (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The InChIKey is FGFOCNGAUZQJIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-9-16(21-17(18-11)12(2)13(3)20-21)19-15(10-22)14-7-5-4-6-8-14/h4-9,15,19,22H,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
(2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol has a molecular weight of 296.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 56899089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).